1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride

C20H42ClN — CID 173360909

IUPAC1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride
SMILESCCCCCCCC(N)C1(CCC)CCCCC1CCC.Cl
InChIInChI=1S/C20H41N.ClH/c1-4-7-8-9-10-15-19(21)20(16-6-3)17-12-11-14-18(20)13-5-2;/h18-19H,4-17,21H2,1-3H3;1H
InChIKeyMITBJTRYGUGXOF-UHFFFAOYSA-N
MW332.02 g/mol
LogP6.87
Rot. Bonds11

About 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride

1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride (PubChem CID 173360909) has the molecular formula C20H42ClN and a molecular weight of 332.02 g/mol. Its IUPAC name is 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride
PubChem CID173360909
Molecular FormulaC20H42ClN
Molecular Weight332.02 g/mol
Exact Mass331.30
IUPAC Name1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride
SMILESCCCCCCCC(N)C1(CCC)CCCCC1CCC.Cl
InChIInChI=1S/C20H41N.ClH/c1-4-7-8-9-10-15-19(21)20(16-6-3)17-12-11-14-18(20)13-5-2;/h18-19H,4-17,21H2,1-3H3;1H
InChIKeyMITBJTRYGUGXOF-UHFFFAOYSA-N
XLogP6.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.02
LogP ≤ 56.87
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

1-(1,2-dipropylcyclohexyl)hexadecan-1-amine
CID 19862394
1-(1,2-diethylcyclohexyl)dodecan-1-amine;hydrate
CID 173347592
1-(1,2-dimethylcyclohexyl)octadecan-1-amine;hydrate
CID 173347231
1-(1-aminooctyl)-N,N-dimethylcyclopentan-1-amine
CID 79067548
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-piperidin-1-ylcyclopentyl)heptan-1-amine
CID 79057989
4-octylspiro[4.5]decane
CID 139968258
1-cyclopentylundecan-3-amine
CID 115835660
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride?
The IUPAC name of 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride (CID 173360909) is 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride.
What is the SMILES notation for 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride?
The canonical SMILES for 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride is CCCCCCCC(N)C1(CCC)CCCCC1CCC.Cl.
What is the InChIKey of 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride?
The InChIKey is MITBJTRYGUGXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N.ClH/c1-4-7-8-9-10-15-19(21)20(16-6-3)17-12-11-14-18(20)13-5-2;/h18-19H,4-17,21H2,1-3H3;1H.
What are the key properties of 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride?
1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride has a molecular weight of 332.02 g/mol, XLogP of 6.87, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride is sourced from PubChem (CID 173360909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).