N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine

C13H16N2 — CID 144853621

IUPACN-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2/c1-10(2)14-7-5-11-3-4-12-6-8-15-13(12)9-11/h3-4,6,8-9,14-15H,1,5,7H2,2H3
InChIKeyBJWZROINDUONQF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.83
Rot. Bonds4

About N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine

N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine (PubChem CID 144853621) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
PubChem CID144853621
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2/c1-10(2)14-7-5-11-3-4-12-6-8-15-13(12)9-11/h3-4,6,8-9,14-15H,1,5,7H2,2H3
InChIKeyBJWZROINDUONQF-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-6-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 84582546
3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
CID 84580794
N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 84579799
3-(1H-indol-6-yl)propanoic acid
CID 23178857
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
6-[2-(3,4-difluorophenyl)ethyl]-1H-indole
CID 175599015
6-(bromomethyl)-1H-indole
CID 22062878
N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
CID 112529427
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine?
The IUPAC name of N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine (CID 144853621) is N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine is C=C(C)NCCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine?
The InChIKey is BJWZROINDUONQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(2)14-7-5-11-3-4-12-6-8-15-13(12)9-11/h3-4,6,8-9,14-15H,1,5,7H2,2H3.
What are the key properties of N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine?
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine has a molecular weight of 200.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine is sourced from PubChem (CID 144853621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).