(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine

C14H18N2 — CID 171206860

IUPAC(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2/c1-3-4-8-12(15)14-10(2)16-13-9-6-5-7-11(13)14/h3,5-7,9,12,16H,1,4,8,15H2,2H3/t12-/m1/s1
InChIKeyFXDXVAWPYZDPER-GFCCVEGCSA-N
MW214.31 g/mol
LogP3.44
Rot. Bonds4

About (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine

(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine (PubChem CID 171206860) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
PubChem CID171206860
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2/c1-3-4-8-12(15)14-10(2)16-13-9-6-5-7-11(13)14/h3,5-7,9,12,16H,1,4,8,15H2,2H3/t12-/m1/s1
InChIKeyFXDXVAWPYZDPER-GFCCVEGCSA-N
XLogP3.44
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-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

(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
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
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine?
The IUPAC name of (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine (CID 171206860) is (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine.
What is the SMILES notation for (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine?
The canonical SMILES for (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine is C=CCC[C@@H](N)c1c(C)[nH]c2ccccc12.
What is the InChIKey of (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine?
The InChIKey is FXDXVAWPYZDPER-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-4-8-12(15)14-10(2)16-13-9-6-5-7-11(13)14/h3,5-7,9,12,16H,1,4,8,15H2,2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine?
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 171206860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).