4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine

C22H44N2 — CID 150327650

IUPAC4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
SMILESCCCCCCCCCC(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h18-22H,2-17,23-24H2,1H3
InChIKeyGOZDZNNEEKMVGK-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.78
Rot. Bonds10

About 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine

4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine (PubChem CID 150327650) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
PubChem CID150327650
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
SMILESCCCCCCCCCC(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h18-22H,2-17,23-24H2,1H3
InChIKeyGOZDZNNEEKMVGK-UHFFFAOYSA-N
XLogP5.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyloctylcyclopropane
CID 141276542
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
CID 150695272
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
4-methylcyclohexan-1-amine;undecane
CID 175032759
2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane
CID 123861215
1-cyclopropylpentylcycloheptane
CID 91177068
1-cyclohexyldecylcyclohexane;isocyanic acid
CID 172810256
octan-2-ylcyclopropane
CID 18968125
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-bromotetradecylcyclopropane
CID 55193412

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine?
The IUPAC name of 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine (CID 150327650) is 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine?
The canonical SMILES for 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine is CCCCCCCCCC(C1CCC(N)CC1)C1CCC(N)CC1.
What is the InChIKey of 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine?
The InChIKey is GOZDZNNEEKMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h18-22H,2-17,23-24H2,1H3.
What are the key properties of 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine?
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine has a molecular weight of 336.61 g/mol, XLogP of 5.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine is sourced from PubChem (CID 150327650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).