N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine

C10H16ClN3 — CID 103757162

IUPACN'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccnc(Cl)c1
InChIInChI=1S/C10H16ClN3/c1-13(2)6-7-14(3)9-4-5-12-10(11)8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyWQVOBTYSGBLMQI-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.73
Rot. Bonds4

About N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 103757162) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID103757162
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccnc(Cl)c1
InChIInChI=1S/C10H16ClN3/c1-13(2)6-7-14(3)9-4-5-12-10(11)8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyWQVOBTYSGBLMQI-UHFFFAOYSA-N
XLogP1.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine
CID 133378986
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695632
[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol
CID 63700089
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
2-[[(2-chloro-4-pyridinyl)-methylamino]methyl]butanoic acid
CID 177061326
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine (CID 103757162) is N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1ccnc(Cl)c1.
What is the InChIKey of N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is WQVOBTYSGBLMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-13(2)6-7-14(3)9-4-5-12-10(11)8-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 213.71 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 103757162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).