6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine

C20H36N4 — CID 90944264

IUPAC6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine
SMILESCCCC(CNC1CC=CC(C(N)C2=CCNC2C)=N1)CC(C)C
InChIInChI=1S/C20H36N4/c1-5-7-16(12-14(2)3)13-23-19-9-6-8-18(24-19)20(21)17-10-11-22-15(17)4/h6,8,10,14-16,19-20,22-23H,5,7,9,11-13,21H2,1-4H3
InChIKeyBDBXCQRPONSFMD-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.01
Rot. Bonds9

About 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine

6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine (PubChem CID 90944264) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine
PubChem CID90944264
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC Name6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine
SMILESCCCC(CNC1CC=CC(C(N)C2=CCNC2C)=N1)CC(C)C
InChIInChI=1S/C20H36N4/c1-5-7-16(12-14(2)3)13-23-19-9-6-8-18(24-19)20(21)17-10-11-22-15(17)4/h6,8,10,14-16,19-20,22-23H,5,7,9,11-13,21H2,1-4H3
InChIKeyBDBXCQRPONSFMD-UHFFFAOYSA-N
XLogP3.01
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-2-methyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-2-methanimidoylbut-2-en-1-amine
CID 123390425
3-imino-1-N'-methyl-1-N'-[9-methyl-3,5-di(propan-2-yl)dec-2-en-4-yl]-2-propyliminobutane-1,1-diamine
CID 90947103
N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine
CID 123449807
N-[4-[2-[5-[3-[heptatriaconta-6,9,28,31-tetraen-19-yl(methyl)amino]propyl]-2-methyl-2,4-dihydroimidazol-3-yl]piperidin-4-yl]butyl]-N-methylheptatriaconta-6,9,28,31-tetraen-19-amine
CID 123931181
2-N-[10-[(2-amino-3-ethylidene-4,5-dihydro-2H-pyridin-6-yl)methylidene]-11-ethyl-7-(methyliminomethyl)tridecan-2-yl]-2-methylpropane-1,2-diamine
CID 123948674
(3Z,5E)-2-N-[(3Z)-3-butan-2-ylidene-4-methyliminocyclohexa-1,5-dien-1-yl]-6-N-(2,5-dimethylheptan-3-yl)-3-ethenyl-5-methylhepta-1,3,5-triene-2,6-diamine
CID 134187705
3-[4-(5-cyclohex-2-en-1-yl-3-ethyl-2H-pyrrol-2-yl)cyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridine
CID 156316119
3-amino-N-(3-aminopropyl)-N'-[[(4-octylcyclohex-2-en-1-yl)amino]methyl]propanimidamide
CID 173889752
N-[[[(2E,5Z)-1-cyclopentyl-2-methyl-3-(methyliminomethyl)hepta-2,5-dien-4-ylidene]amino]methyl]cyclohexanamine
CID 173970814

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine?
The IUPAC name of 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine (CID 90944264) is 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine?
The canonical SMILES for 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine is CCCC(CNC1CC=CC(C(N)C2=CCNC2C)=N1)CC(C)C.
What is the InChIKey of 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine?
The InChIKey is BDBXCQRPONSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4/c1-5-7-16(12-14(2)3)13-23-19-9-6-8-18(24-19)20(21)17-10-11-22-15(17)4/h6,8,10,14-16,19-20,22-23H,5,7,9,11-13,21H2,1-4H3.
What are the key properties of 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine?
6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine has a molecular weight of 332.54 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 90944264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).