(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine

C13H16N2 — CID 18388284

IUPAC(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2/c1-14-8-3-2-4-11-5-6-12-7-9-15-13(12)10-11/h2,4-7,9-10,14-15H,3,8H2,1H3/b4-2+
InChIKeyCJWDHBZVBNIFLW-DUXPYHPUSA-N
MW200.28 g/mol
LogP2.79
Rot. Bonds4

About (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine

(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine (PubChem CID 18388284) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
PubChem CID18388284
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2/c1-14-8-3-2-4-11-5-6-12-7-9-15-13(12)10-11/h2,4-7,9-10,14-15H,3,8H2,1H3/b4-2+
InChIKeyCJWDHBZVBNIFLW-DUXPYHPUSA-N
XLogP2.79
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
3-(1H-indol-6-yl)prop-2-en-1-amine
CID 169463691
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817
6-[4-(methylamino)but-1-enyl]naphthalene-2-carboxylic acid
CID 170496678
N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine
CID 170495931
4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
(E)-3-(1H-indol-6-yl)prop-2-enenitrile
CID 131245943
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
CID 25050334
4-(2-chloro-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495263

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine?
The IUPAC name of (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine (CID 18388284) is (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine is CNCC/C=C/c1ccc2cc[nH]c2c1.
What is the InChIKey of (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine?
The InChIKey is CJWDHBZVBNIFLW-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H16N2/c1-14-8-3-2-4-11-5-6-12-7-9-15-13(12)10-11/h2,4-7,9-10,14-15H,3,8H2,1H3/b4-2+.
What are the key properties of (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine?
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 18388284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).