3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine

C14H20N2 — CID 82393603

IUPAC3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2c(C)ccc(C)c2c1CCCN
InChIInChI=1S/C14H20N2/c1-9-6-7-10(2)14-13(9)12(5-4-8-15)11(3)16-14/h6-7,16H,4-5,8,15H2,1-3H3
InChIKeySYXINEFRKVYQSV-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.98
Rot. Bonds3

About 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine

3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine (PubChem CID 82393603) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
PubChem CID82393603
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2c(C)ccc(C)c2c1CCCN
InChIInChI=1S/C14H20N2/c1-9-6-7-10(2)14-13(9)12(5-4-8-15)11(3)16-14/h6-7,16H,4-5,8,15H2,1-3H3
InChIKeySYXINEFRKVYQSV-UHFFFAOYSA-N
XLogP2.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-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

Related Compounds

N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
CID 82495305
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol
CID 67987205
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
4-[2-(2,3-dichlorophenyl)-4,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5158000
4-[4,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 3930669
3-(chloromethyl)-4-fluoro-2,7-dimethyl-1H-indole
CID 130050200
2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine
CID 84640405
(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine
CID 105449673
2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
CID 84630578
3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol
CID 176685867

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine (CID 82393603) is 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine is Cc1[nH]c2c(C)ccc(C)c2c1CCCN.
What is the InChIKey of 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is SYXINEFRKVYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-6-7-10(2)14-13(9)12(5-4-8-15)11(3)16-14/h6-7,16H,4-5,8,15H2,1-3H3.
What are the key properties of 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine?
3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82393603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).