N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine

C14H28N2 — CID 43268882

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine
SMILESCCCN(CC)CC1CC2CCCCC2N1
InChIInChI=1S/C14H28N2/c1-3-9-16(4-2)11-13-10-12-7-5-6-8-14(12)15-13/h12-15H,3-11H2,1-2H3
InChIKeySHURNKHBPQNKBE-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine (PubChem CID 43268882) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine
PubChem CID43268882
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine
SMILESCCCN(CC)CC1CC2CCCCC2N1
InChIInChI=1S/C14H28N2/c1-3-9-16(4-2)11-13-10-12-7-5-6-8-14(12)15-13/h12-15H,3-11H2,1-2H3
InChIKeySHURNKHBPQNKBE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-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-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine (CID 43268882) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine is CCCN(CC)CC1CC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine?
The InChIKey is SHURNKHBPQNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-9-16(4-2)11-13-10-12-7-5-6-8-14(12)15-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 43268882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).