N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine

C13H19N3 — CID 103102150

IUPACN'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H19N3/c1-2-16(8-6-14)10-11-3-4-12-5-7-15-13(12)9-11/h3-5,7,9,15H,2,6,8,10,14H2,1H3
InChIKeySEMNJVCQEVAURR-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.95
Rot. Bonds5

About N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine (PubChem CID 103102150) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
PubChem CID103102150
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H19N3/c1-2-16(8-6-14)10-11-3-4-12-5-7-15-13(12)9-11/h3-5,7,9,15H,2,6,8,10,14H2,1H3
InChIKeySEMNJVCQEVAURR-UHFFFAOYSA-N
XLogP1.95
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
6-(bromomethyl)-1H-indole
CID 22062878
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
CID 166234381
N'-ethyl-N'-[(3-iodophenyl)methyl]ethane-1,2-diamine
CID 154733830
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61348360
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine
CID 136575576

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine (CID 103102150) is N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine is CCN(CCN)Cc1ccc2cc[nH]c2c1.
What is the InChIKey of N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine?
The InChIKey is SEMNJVCQEVAURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-16(8-6-14)10-11-3-4-12-5-7-15-13(12)9-11/h3-5,7,9,15H,2,6,8,10,14H2,1H3.
What are the key properties of N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine has a molecular weight of 217.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 103102150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).