N-pentyl-4aH-benzo[c]chromen-9-amine

C18H21NO — CID 88757653

IUPACN-pentyl-4aH-benzo[c]chromen-9-amine
SMILESCCCCCNc1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C18H21NO/c1-2-3-6-11-19-15-10-9-14-13-20-18-8-5-4-7-16(18)17(14)12-15/h4-5,7-10,12-13,18-19H,2-3,6,11H2,1H3
InChIKeyVKMCGMZSQVWYCX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.70
Rot. Bonds5

About N-pentyl-4aH-benzo[c]chromen-9-amine

N-pentyl-4aH-benzo[c]chromen-9-amine (PubChem CID 88757653) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-pentyl-4aH-benzo[c]chromen-9-amine.

Molecular Properties

Compound NameN-pentyl-4aH-benzo[c]chromen-9-amine
PubChem CID88757653
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-pentyl-4aH-benzo[c]chromen-9-amine
SMILESCCCCCNc1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C18H21NO/c1-2-3-6-11-19-15-10-9-14-13-20-18-8-5-4-7-16(18)17(14)12-15/h4-5,7-10,12-13,18-19H,2-3,6,11H2,1H3
InChIKeyVKMCGMZSQVWYCX-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pentyl-4aH-benzo[c]chromen-9-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

Ethane;8-methoxy-1-(4,4,4-trifluorobutyl)-2,3-dihydroisoquinoline
CID 162752897
8-Methoxy-1-(4,4,4-trifluorobutyl)-2,3-dihydroisoquinoline
CID 162752898
1-pentoxy-N-pentyl-4aH-benzo[c]chromen-9-amine
CID 88756542
N-prop-2-enyl-4aH-benzo[c]chromen-9-amine
CID 88768609
N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine
CID 88787790
6-pentoxy-N-pentyl-4aH-benzo[c]chromen-9-amine
CID 88806192
(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine
CID 89039026
6-[(1E,3E)-1-amino-4-methoxyhexa-1,3,5-trien-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 89085387
(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene
CID 134526366
7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline
CID 143382034
1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143829328
4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143832123

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4aH-benzo[c]chromen-9-amine?
The IUPAC name of N-pentyl-4aH-benzo[c]chromen-9-amine (CID 88757653) is N-pentyl-4aH-benzo[c]chromen-9-amine.
What is the SMILES notation for N-pentyl-4aH-benzo[c]chromen-9-amine?
The canonical SMILES for N-pentyl-4aH-benzo[c]chromen-9-amine is CCCCCNc1ccc2c(c1)=C1C=CC=CC1OC=2.
What is the InChIKey of N-pentyl-4aH-benzo[c]chromen-9-amine?
The InChIKey is VKMCGMZSQVWYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-3-6-11-19-15-10-9-14-13-20-18-8-5-4-7-16(18)17(14)12-15/h4-5,7-10,12-13,18-19H,2-3,6,11H2,1H3.
What are the key properties of N-pentyl-4aH-benzo[c]chromen-9-amine?
N-pentyl-4aH-benzo[c]chromen-9-amine has a molecular weight of 267.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4aH-benzo[c]chromen-9-amine is sourced from PubChem (CID 88757653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).