(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine

C11H15N3 — CID 131198811

IUPAC(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
SMILESCc1[nH]c2ccccc2c1[C@H](N)CN
InChIInChI=1S/C11H15N3/c1-7-11(9(13)6-12)8-4-2-3-5-10(8)14-7/h2-5,9,14H,6,12-13H2,1H3/t9-/m1/s1
InChIKeyVTOGUIVCBBKPOJ-SECBINFHSA-N
MW189.26 g/mol
LogP1.43
Rot. Bonds2

About (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine

(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine (PubChem CID 131198811) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
PubChem CID131198811
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
SMILESCc1[nH]c2ccccc2c1[C@H](N)CN
InChIInChI=1S/C11H15N3/c1-7-11(9(13)6-12)8-4-2-3-5-10(8)14-7/h2-5,9,14H,6,12-13H2,1H3/t9-/m1/s1
InChIKeyVTOGUIVCBBKPOJ-SECBINFHSA-N
XLogP1.43
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-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

(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine (CID 131198811) is (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine is Cc1[nH]c2ccccc2c1[C@H](N)CN.
What is the InChIKey of (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The InChIKey is VTOGUIVCBBKPOJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-11(9(13)6-12)8-4-2-3-5-10(8)14-7/h2-5,9,14H,6,12-13H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 131198811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).