N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane

C63H101N8O4+ — CID 172617453

IUPACN-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane
SMILESC1CCCC1.CC1=C(c2cc(C(=O)Nc3nc4ccc(C)cc4n3C)cc(C)n2)C=[N+](C)CC1.CC1CCC1.CCCCN(CCC)C(CCC)CCC(C)CC.CNC(=O)C(CCC=O)Oc1ccc(C)c(C)n1
InChIInChI=1S/C23H25N5O.C17H37N.C13H18N2O3.2C5H10/c1-14-6-7-19-21(10-14)28(5)23(25-19)26-22(29)17-11-16(3)24-20(12-17)18-13-27(4)9-8-15(18)2;1-6-10-15-18(14-8-3)17(11-7-2)13-12-16(5)9-4;1-9-6-7-12(15-10(9)2)18-11(5-4-8-16)13(17)14-3;1-5-3-2-4-5;1-2-4-5-3-1/h6-7,10-13H,8-9H2,1-5H3;16-17H,6-15H2,1-5H3;6-8,11H,4-5H2,1-3H3,(H,14,17);5H,2-4H2,1H3;1-5H2/p+1
InChIKeyYRGPFEBROSUNIS-UHFFFAOYSA-O
MW1034.55 g/mol
LogP14.15
Rot. Bonds21

About N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane

N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane (PubChem CID 172617453) has the molecular formula C63H101N8O4+ and a molecular weight of 1034.55 g/mol. Its IUPAC name is N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane.

Molecular Properties

Compound NameN-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane
PubChem CID172617453
Molecular FormulaC63H101N8O4+
Molecular Weight1034.55 g/mol
Exact Mass1033.79
IUPAC NameN-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane
SMILESC1CCCC1.CC1=C(c2cc(C(=O)Nc3nc4ccc(C)cc4n3C)cc(C)n2)C=[N+](C)CC1.CC1CCC1.CCCCN(CCC)C(CCC)CCC(C)CC.CNC(=O)C(CCC=O)Oc1ccc(C)c(C)n1
InChIInChI=1S/C23H25N5O.C17H37N.C13H18N2O3.2C5H10/c1-14-6-7-19-21(10-14)28(5)23(25-19)26-22(29)17-11-16(3)24-20(12-17)18-13-27(4)9-8-15(18)2;1-6-10-15-18(14-8-3)17(11-7-2)13-12-16(5)9-4;1-9-6-7-12(15-10(9)2)18-11(5-4-8-16)13(17)14-3;1-5-3-2-4-5;1-2-4-5-3-1/h6-7,10-13H,8-9H2,1-5H3;16-17H,6-15H2,1-5H3;6-8,11H,4-5H2,1-3H3,(H,14,17);5H,2-4H2,1H3;1-5H2/p+1
InChIKeyYRGPFEBROSUNIS-UHFFFAOYSA-O
XLogP14.15
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.55
LogP ≤ 514.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane?
The IUPAC name of N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane (CID 172617453) is N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane.
What is the SMILES notation for N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane?
The canonical SMILES for N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane is C1CCCC1.CC1=C(c2cc(C(=O)Nc3nc4ccc(C)cc4n3C)cc(C)n2)C=[N+](C)CC1.CC1CCC1.CCCCN(CCC)C(CCC)CCC(C)CC.CNC(=O)C(CCC=O)Oc1ccc(C)c(C)n1.
What is the InChIKey of N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane?
The InChIKey is YRGPFEBROSUNIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N5O.C17H37N.C13H18N2O3.2C5H10/c1-14-6-7-19-21(10-14)28(5)23(25-19)26-22(29)17-11-16(3)24-20(12-17)18-13-27(4)9-8-15(18)2;1-6-10-15-18(14-8-3)17(11-7-2)13-12-16(5)9-4;1-9-6-7-12(15-10(9)2)18-11(5-4-8-16)13(17)14-3;1-5-3-2-4-5;1-2-4-5-3-1/h6-7,10-13H,8-9H2,1-5H3;16-17H,6-15H2,1-5H3;6-8,11H,4-5H2,1-3H3,(H,14,17);5H,2-4H2,1H3;1-5H2/p+1.
What are the key properties of N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane?
N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane has a molecular weight of 1034.55 g/mol, XLogP of 14.15, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-methyl-N-propylnonan-4-amine;cyclopentane;N-(1,6-dimethylbenzimidazol-2-yl)-2-(1,4-dimethyl-2,3-dihydropyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;2-[(5,6-dimethyl-2-pyridinyl)oxy]-N-methyl-5-oxopentanamide;methylcyclobutane is sourced from PubChem (CID 172617453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).