2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine

C14H21N3 — CID 116933418

IUPAC2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
SMILESCn1cc(C(N)C(C)(C)CN)c2ccccc21
InChIInChI=1S/C14H21N3/c1-14(2,9-15)13(16)11-8-17(3)12-7-5-4-6-10(11)12/h4-8,13H,9,15-16H2,1-3H3
InChIKeyFSUMWLZUNSZREO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.16
Rot. Bonds3

About 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine

2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine (PubChem CID 116933418) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
PubChem CID116933418
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
SMILESCn1cc(C(N)C(C)(C)CN)c2ccccc21
InChIInChI=1S/C14H21N3/c1-14(2,9-15)13(16)11-8-17(3)12-7-5-4-6-10(11)12/h4-8,13H,9,15-16H2,1-3H3
InChIKeyFSUMWLZUNSZREO-UHFFFAOYSA-N
XLogP2.16
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine 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

(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 171241945
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
1-methyl-3-propan-2-ylindole
CID 10942942
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine
CID 116936971

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine (CID 116933418) is 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine is Cn1cc(C(N)C(C)(C)CN)c2ccccc21.
What is the InChIKey of 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine?
The InChIKey is FSUMWLZUNSZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2,9-15)13(16)11-8-17(3)12-7-5-4-6-10(11)12/h4-8,13H,9,15-16H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine?
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine is sourced from PubChem (CID 116933418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).