N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C19H26N2 — CID 10265814

IUPACN-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C19H26N2/c1-2-11-21(13-14-3-4-14)16-7-5-15-6-8-19-17(9-10-20-19)18(15)12-16/h6,8-10,14,16,20H,2-5,7,11-13H2,1H3
InChIKeyJBAXPLUIYUXVCS-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.15
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10265814) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10265814
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C19H26N2/c1-2-11-21(13-14-3-4-14)16-7-5-15-6-8-19-17(9-10-20-19)18(15)12-16/h6,8-10,14,16,20H,2-5,7,11-13H2,1H3
InChIKeyJBAXPLUIYUXVCS-UHFFFAOYSA-N
XLogP4.15
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10265814) is N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is JBAXPLUIYUXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-11-21(13-14-3-4-14)16-7-5-15-6-8-19-17(9-10-20-19)18(15)12-16/h6,8-10,14,16,20H,2-5,7,11-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 282.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10265814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).