3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine

C16H24N2 — CID 131842982

IUPAC3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine
SMILESNc1c(C2CCCCC2)cc2c(c1N)CCCC2
InChIInChI=1S/C16H24N2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h10-11H,1-9,17-18H2
InChIKeyHPJHXCPPRGKOAU-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.78
Rot. Bonds1

About 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine

3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine (PubChem CID 131842982) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine
PubChem CID131842982
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine
SMILESNc1c(C2CCCCC2)cc2c(c1N)CCCC2
InChIInChI=1S/C16H24N2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h10-11H,1-9,17-18H2
InChIKeyHPJHXCPPRGKOAU-UHFFFAOYSA-N
XLogP3.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 162394390
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 146303850
2,6-di(cycloheptyl)aniline
CID 156891849
5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine
CID 162394388
5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-amine
CID 147187055
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole
CID 173178556
4-amino-2,6-dicyclohexylphenol
CID 18959879
4-cycloheptyl-3-cyclooctylaniline
CID 170224279
3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 55223849
4,6-dicyclopropyl-3-methylbenzene-1,2-diamine
CID 124706868

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine (CID 131842982) is 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine is Nc1c(C2CCCCC2)cc2c(c1N)CCCC2.
What is the InChIKey of 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
The InChIKey is HPJHXCPPRGKOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h10-11H,1-9,17-18H2.
What are the key properties of 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine?
3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 131842982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).