N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine

C14H20N2 — CID 158084788

IUPACN-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1=CN=C2C=CC=CC12
InChIInChI=1S/C14H20N2/c1-11(2)16(3)9-8-12-10-15-14-7-5-4-6-13(12)14/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeyIYJOQWVMPPFPQB-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine

N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine (PubChem CID 158084788) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine
PubChem CID158084788
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1=CN=C2C=CC=CC12
InChIInChI=1S/C14H20N2/c1-11(2)16(3)9-8-12-10-15-14-7-5-4-6-13(12)14/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeyIYJOQWVMPPFPQB-UHFFFAOYSA-N
XLogP2.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-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

N-methyltetrahydroharman
CID 68741157
9-Methyloctahydroindolo[2,3-a]quinolizine
CID 129734677
4-Methyl-5-prop-2-enyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53778331
2-(1-ethylpiperidin-4-yl)-2H-indole
CID 57002424
N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine
CID 57095023
2-methyl-3,3a-dihydro-2H-indole
CID 57683757
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
N-methyl-N-[2-(7-methyl-7H-indol-3-yl)ethyl]cyclopropanamine
CID 67232442
2,3-Dimethyl-2,3-dihydropyrrolo[2,3-f]indole
CID 70084835
1-Ethyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 88462183
(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
CID 90774321
8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium
CID 91176442

Frequently Asked Questions

What is the IUPAC name of N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine (CID 158084788) is N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCC1=CN=C2C=CC=CC12.
What is the InChIKey of N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine?
The InChIKey is IYJOQWVMPPFPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(2)16(3)9-8-12-10-15-14-7-5-4-6-13(12)14/h4-7,10-11,13H,8-9H2,1-3H3.
What are the key properties of N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine?
N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3aH-indol-3-yl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 158084788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).