N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine

C18H37N — CID 81029901

IUPACN-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1CCC(C)C
InChIInChI=1S/C18H37N/c1-5-7-16-9-11-18(14-19-12-6-2)17(13-16)10-8-15(3)4/h15-19H,5-14H2,1-4H3
InChIKeyDIESZXFZONQCQK-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds9

About N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine

N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine (PubChem CID 81029901) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
PubChem CID81029901
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1CCC(C)C
InChIInChI=1S/C18H37N/c1-5-7-16-9-11-18(14-19-12-6-2)17(13-16)10-8-15(3)4/h15-19H,5-14H2,1-4H3
InChIKeyDIESZXFZONQCQK-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
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-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029753
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 83163463
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029546
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81034865
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine (CID 81029901) is N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(CCC)CC1CCC(C)C.
What is the InChIKey of N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The InChIKey is DIESZXFZONQCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-7-16-9-11-18(14-19-12-6-2)17(13-16)10-8-15(3)4/h15-19H,5-14H2,1-4H3.
What are the key properties of N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine?
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81029901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).