N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine

C10H16ClN3 — CID 103102113

IUPACN'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccncc1Cl
InChIInChI=1S/C10H16ClN3/c1-2-14(6-4-12)8-9-3-5-13-7-10(9)11/h3,5,7H,2,4,6,8,12H2,1H3
InChIKeyZCJMWRMOUIVJRB-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.52
Rot. Bonds5

About N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102113) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103102113
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccncc1Cl
InChIInChI=1S/C10H16ClN3/c1-2-14(6-4-12)8-9-3-5-13-7-10(9)11/h3,5,7H,2,4,6,8,12H2,1H3
InChIKeyZCJMWRMOUIVJRB-UHFFFAOYSA-N
XLogP1.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-[(3-chloro-4-pyridinyl)methyl]propan-2-amine
CID 80671408
N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107203900
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102219
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 107951116
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine (CID 103102113) is N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1ccncc1Cl.
What is the InChIKey of N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is ZCJMWRMOUIVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-2-14(6-4-12)8-9-3-5-13-7-10(9)11/h3,5,7H,2,4,6,8,12H2,1H3.
What are the key properties of N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 213.71 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).