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

C16H32ClN — CID 22630148

IUPAC2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC(CN)C1(C)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C16H31N.ClH/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;1H
InChIKeyZGHPHWKANOTEQH-UHFFFAOYSA-N
MW273.89 g/mol
LogP4.80
Rot. Bonds4

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

2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride (PubChem CID 22630148) has the molecular formula C16H32ClN and a molecular weight of 273.89 g/mol. Its IUPAC name is 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride
PubChem CID22630148
Molecular FormulaC16H32ClN
Molecular Weight273.89 g/mol
Exact Mass273.22
IUPAC Name2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC(CN)C1(C)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C16H31N.ClH/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;1H
InChIKeyZGHPHWKANOTEQH-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.89
LogP ≤ 54.80
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;hydrochloride?
The IUPAC name of 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride (CID 22630148) is 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride is C=CCC(CN)C1(C)CC(C)(C)CC(C)(C)C1.Cl.
What is the InChIKey of 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is ZGHPHWKANOTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.ClH/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;1H.
What are the key properties of 2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride?
2-(1,3,3,5,5-pentamethylcyclohexyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 273.89 g/mol, XLogP of 4.80, 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;hydrochloride is sourced from PubChem (CID 22630148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).