N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C19H40N2 — CID 63495395

IUPACN-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCCN(CC1CC(C(C)C)CCC1NC)C(C)C
InChIInChI=1S/C19H40N2/c1-7-8-9-12-21(16(4)5)14-18-13-17(15(2)3)10-11-19(18)20-6/h15-20H,7-14H2,1-6H3
InChIKeyBFIAMMLEKWPANP-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds9

About N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63495395) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63495395
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCCN(CC1CC(C(C)C)CCC1NC)C(C)C
InChIInChI=1S/C19H40N2/c1-7-8-9-12-21(16(4)5)14-18-13-17(15(2)3)10-11-19(18)20-6/h15-20H,7-14H2,1-6H3
InChIKeyBFIAMMLEKWPANP-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-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

2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
CID 63698976
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79858757
2-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704719
2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614852
2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63957118
N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79565802
N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63965864
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55106257
2-[cyclopropyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62708874

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63495395) is N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CCCCCN(CC1CC(C(C)C)CCC1NC)C(C)C.
What is the InChIKey of N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BFIAMMLEKWPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-8-9-12-21(16(4)5)14-18-13-17(15(2)3)10-11-19(18)20-6/h15-20H,7-14H2,1-6H3.
What are the key properties of N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63495395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).