5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C19H29N — CID 64728874

IUPAC5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCC1CC(C)CC(C2(N)CCCCc3ccccc32)C1
InChIInChI=1S/C19H29N/c1-14-11-15(2)13-17(12-14)19(20)10-6-5-8-16-7-3-4-9-18(16)19/h3-4,7,9,14-15,17H,5-6,8,10-13,20H2,1-2H3
InChIKeyLYBNWUNAKXFUPX-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.64
Rot. Bonds1

About 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 64728874) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID64728874
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCC1CC(C)CC(C2(N)CCCCc3ccccc32)C1
InChIInChI=1S/C19H29N/c1-14-11-15(2)13-17(12-14)19(20)10-6-5-8-16-7-3-4-9-18(16)19/h3-4,7,9,14-15,17H,5-6,8,10-13,20H2,1-2H3
InChIKeyLYBNWUNAKXFUPX-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine
CID 64729680
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
CID 79907765
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 80604311
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407550
5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 60793660
2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride
CID 19106985
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
CID 71743862
spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride
CID 45262581
5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62802871

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 64728874) is 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is CC1CC(C)CC(C2(N)CCCCc3ccccc32)C1.
What is the InChIKey of 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is LYBNWUNAKXFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14-11-15(2)13-17(12-14)19(20)10-6-5-8-16-7-3-4-9-18(16)19/h3-4,7,9,14-15,17H,5-6,8,10-13,20H2,1-2H3.
What are the key properties of 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 271.45 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylcyclohexyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 64728874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).