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'}

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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).