2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine

C16H31N — CID 10149177

IUPAC2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine
SMILESC=CCC(CN)C1(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31N/c1-7-8-13(9-17)16(6)11-14(2,3)10-15(4,5)12-16/h7,13H,1,8-12,17H2,2-6H3
InChIKeyDJRPMKGSJCBLJU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.38
Rot. Bonds4

About 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine

2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine (PubChem CID 10149177) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine
PubChem CID10149177
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine
SMILESC=CCC(CN)C1(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31N/c1-7-8-13(9-17)16(6)11-14(2,3)10-15(4,5)12-16/h7,13H,1,8-12,17H2,2-6H3
InChIKeyDJRPMKGSJCBLJU-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine?
The IUPAC name of 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine (CID 10149177) is 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine.
What is the SMILES notation for 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine?
The canonical SMILES for 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine is C=CCC(CN)C1(C)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine?
The InChIKey is DJRPMKGSJCBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-7-8-13(9-17)16(6)11-14(2,3)10-15(4,5)12-16/h7,13H,1,8-12,17H2,2-6H3.
What are the key properties of 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine?
2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine is sourced from PubChem (CID 10149177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).