N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C11H19N3 — CID 61348602

IUPACN'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCN)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-2-7-14(8-5-12)10-11-4-3-6-13-9-11/h3-4,6,9H,2,5,7-8,10,12H2,1H3
InChIKeyHYRLSBZRTWUUDV-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.25
Rot. Bonds6

About N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 61348602) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID61348602
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCN)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-2-7-14(8-5-12)10-11-4-3-6-13-9-11/h3-4,6,9H,2,5,7-8,10,12H2,1H3
InChIKeyHYRLSBZRTWUUDV-UHFFFAOYSA-N
XLogP1.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
CID 63262604
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
CID 169427277
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28772199
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
CID 63264561
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920

Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 61348602) is N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is CCCN(CCN)Cc1cccnc1.
What is the InChIKey of N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is HYRLSBZRTWUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-7-14(8-5-12)10-11-4-3-6-13-9-11/h3-4,6,9H,2,5,7-8,10,12H2,1H3.
What are the key properties of N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61348602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).