N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

C13H23N3 — CID 63761672

IUPACN'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCCCCN(CCN)CCc1ccccn1
InChIInChI=1S/C13H23N3/c1-2-3-10-16(12-8-14)11-7-13-6-4-5-9-15-13/h4-6,9H,2-3,7-8,10-12,14H2,1H3
InChIKeySTXPZAVQOPZEDW-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.68
Rot. Bonds8

About N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (PubChem CID 63761672) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
PubChem CID63761672
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCCCCN(CCN)CCc1ccccn1
InChIInChI=1S/C13H23N3/c1-2-3-10-16(12-8-14)11-7-13-6-4-5-9-15-13/h4-6,9H,2-3,7-8,10-12,14H2,1H3
InChIKeySTXPZAVQOPZEDW-UHFFFAOYSA-N
XLogP1.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-1-(2-pyridin-2-ylethyl)hydrazine
CID 89336624
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
CID 139055995
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
2-undecylpyridine
CID 66882765
N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-tetradecylpyridine;hydrochloride
CID 45489746
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-hexadecylpyridine;hydrate
CID 141211108
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
azanium;2-tetradecylpyridine;bromide
CID 157411341

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (CID 63761672) is N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is CCCCN(CCN)CCc1ccccn1.
What is the InChIKey of N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The InChIKey is STXPZAVQOPZEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-3-10-16(12-8-14)11-7-13-6-4-5-9-15-13/h4-6,9H,2-3,7-8,10-12,14H2,1H3.
What are the key properties of N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63761672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).