N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C20H31N — CID 65087328

IUPACN-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)C1CCCC(NC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H31N/c1-15(2)16-8-5-10-18(14-13-16)21-20-12-6-9-17-7-3-4-11-19(17)20/h3-4,7,11,15-16,18,20-21H,5-6,8-10,12-14H2,1-2H3
InChIKeyLYKKHRXAEOKAAU-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.26
Rot. Bonds3

About N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65087328) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65087328
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)C1CCCC(NC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H31N/c1-15(2)16-8-5-10-18(14-13-16)21-20-12-6-9-17-7-3-4-11-19(17)20/h3-4,7,11,15-16,18,20-21H,5-6,8-10,12-14H2,1-2H3
InChIKeyLYKKHRXAEOKAAU-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 63421668
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
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
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115998636
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313
N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxolan-3-amine
CID 63331677
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
CID 65054525

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65087328) is N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)C1CCCC(NC2CCCc3ccccc32)CC1.
What is the InChIKey of N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LYKKHRXAEOKAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-15(2)16-8-5-10-18(14-13-16)21-20-12-6-9-17-7-3-4-11-19(17)20/h3-4,7,11,15-16,18,20-21H,5-6,8-10,12-14H2,1-2H3.
What are the key properties of N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65087328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).