N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C18H24N2 — CID 10378357

IUPACN-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESC=CCN(CCC)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C18H24N2/c1-3-11-20(12-4-2)15-7-5-14-6-8-18-16(9-10-19-18)17(14)13-15/h3,6,8-10,15,19H,1,4-5,7,11-13H2,2H3
InChIKeyIDHCAJSSWVNHQO-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.92
Rot. Bonds5

About N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10378357) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10378357
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESC=CCN(CCC)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C18H24N2/c1-3-11-20(12-4-2)15-7-5-14-6-8-18-16(9-10-19-18)17(14)13-15/h3,6,8-10,15,19H,1,4-5,7,11-13H2,2H3
InChIKeyIDHCAJSSWVNHQO-UHFFFAOYSA-N
XLogP3.92
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10378357) is N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is C=CCN(CCC)C1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is IDHCAJSSWVNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-11-20(12-4-2)15-7-5-14-6-8-18-16(9-10-19-18)17(14)13-15/h3,6,8-10,15,19H,1,4-5,7,11-13H2,2H3.
What are the key properties of N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 268.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10378357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).