N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C19H29N — CID 63994491

IUPACN-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1CCC(NC2CCCCc3ccccc32)C(C)C1
InChIInChI=1S/C19H29N/c1-14-11-12-18(15(2)13-14)20-19-10-6-4-8-16-7-3-5-9-17(16)19/h3,5,7,9,14-15,18-20H,4,6,8,10-13H2,1-2H3
InChIKeyGGZFUXXFLKDOCM-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.87
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63994491) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63994491
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1CCC(NC2CCCCc3ccccc32)C(C)C1
InChIInChI=1S/C19H29N/c1-14-11-12-18(15(2)13-14)20-19-10-6-4-8-16-7-3-5-9-17(16)19/h3,5,7,9,14-15,18-20H,4,6,8,10-13H2,1-2H3
InChIKeyGGZFUXXFLKDOCM-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79232396
N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63454712
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63994320
N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43081234
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805
N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 63995270
1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741514
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313
N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63995066

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63994491) is N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CC1CCC(NC2CCCCc3ccccc32)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is GGZFUXXFLKDOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14-11-12-18(15(2)13-14)20-19-10-6-4-8-16-7-3-5-9-17(16)19/h3,5,7,9,14-15,18-20H,4,6,8,10-13H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 271.45 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63994491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).