N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C16H21N — CID 115695313

IUPACN-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESC1=CCC(NC2CCCCc3ccccc32)C1
InChIInChI=1S/C16H21N/c1-5-11-15-13(7-1)8-2-6-12-16(15)17-14-9-3-4-10-14/h1,3-5,7,11,14,16-17H,2,6,8-10,12H2
InChIKeyHKTBMHKSRWCBKY-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.76
Rot. Bonds2

About N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 115695313) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID115695313
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESC1=CCC(NC2CCCCc3ccccc32)C1
InChIInChI=1S/C16H21N/c1-5-11-15-13(7-1)8-2-6-12-16(15)17-14-9-3-4-10-14/h1,3-5,7,11,14,16-17H,2,6,8-10,12H2
InChIKeyHKTBMHKSRWCBKY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-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-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-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
CID 65054525
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxolan-3-amine
CID 63331677
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805
N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63454712
N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115998636
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65087328
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 115695313) is N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is C1=CCC(NC2CCCCc3ccccc32)C1.
What is the InChIKey of N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is HKTBMHKSRWCBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-5-11-15-13(7-1)8-2-6-12-16(15)17-14-9-3-4-10-14/h1,3-5,7,11,14,16-17H,2,6,8-10,12H2.
What are the key properties of N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 227.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 115695313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).