N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine

C16H31N — CID 81029906

IUPACN-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
SMILESC=CCC1CC(CCC)CCC1CNC(C)C
InChIInChI=1S/C16H31N/c1-5-7-14-9-10-16(12-17-13(3)4)15(11-14)8-6-2/h6,13-17H,2,5,7-12H2,1,3-4H3
InChIKeyXVOISWQDWXAXQK-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.39
Rot. Bonds7

About N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine

N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine (PubChem CID 81029906) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
PubChem CID81029906
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
SMILESC=CCC1CC(CCC)CCC1CNC(C)C
InChIInChI=1S/C16H31N/c1-5-7-14-9-10-16(12-17-13(3)4)15(11-14)8-6-2/h6,13-17H,2,5,7-12H2,1,3-4H3
InChIKeyXVOISWQDWXAXQK-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
CID 81028737
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029725
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 114667511
N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81034887

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine (CID 81029906) is N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine is C=CCC1CC(CCC)CCC1CNC(C)C.
What is the InChIKey of N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine?
The InChIKey is XVOISWQDWXAXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-7-14-9-10-16(12-17-13(3)4)15(11-14)8-6-2/h6,13-17H,2,5,7-12H2,1,3-4H3.
What are the key properties of N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine?
N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81029906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).