N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine

C17H35N — CID 83163463

IUPACN-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)CC1CCCC(C)C
InChIInChI=1S/C17H35N/c1-5-11-18-13-17-10-9-15(4)12-16(17)8-6-7-14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyVHEHPXXRNSVNNR-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds8

About N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine

N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 83163463) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
PubChem CID83163463
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)CC1CCCC(C)C
InChIInChI=1S/C17H35N/c1-5-11-18-13-17-10-9-15(4)12-16(17)8-6-7-14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyVHEHPXXRNSVNNR-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031362
N-[[2-(3-ethylsulfanylpropyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 113474781
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
CID 81033298
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine (CID 83163463) is N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C)CC1CCCC(C)C.
What is the InChIKey of N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is VHEHPXXRNSVNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-11-18-13-17-10-9-15(4)12-16(17)8-6-7-14(2)3/h14-18H,5-13H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 83163463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).