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

C12H20ClN3 — CID 79255921

IUPACN'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C12H20ClN3/c1-15(2)7-4-8-16(3)10-12-9-11(13)5-6-14-12/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyATKCYUVKJRNLQA-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.12
Rot. Bonds6

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

N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 79255921) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID79255921
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C12H20ClN3/c1-15(2)7-4-8-16(3)10-12-9-11(13)5-6-14-12/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyATKCYUVKJRNLQA-UHFFFAOYSA-N
XLogP2.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 79255921) is N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1cc(Cl)ccn1.
What is the InChIKey of N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is ATKCYUVKJRNLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-15(2)7-4-8-16(3)10-12-9-11(13)5-6-14-12/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 241.77 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79255921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).