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

C11H18ClN3 — CID 82937773

IUPAC2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccncc1Cl
InChIInChI=1S/C11H18ClN3/c1-9(8-15(2)3)14-6-10-4-5-13-7-11(10)12/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyUVVDDAFGFAEWEQ-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.77
Rot. Bonds5

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

2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82937773) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82937773
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccncc1Cl
InChIInChI=1S/C11H18ClN3/c1-9(8-15(2)3)14-6-10-4-5-13-7-11(10)12/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyUVVDDAFGFAEWEQ-UHFFFAOYSA-N
XLogP1.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 82939347
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751
2-N-[(2-chlorofuran-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106684718
N-[(3-chloro-4-pyridinyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905612
(1S)-1-(4-bromophenyl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 81359257
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
N-[(3-chloro-4-pyridinyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241523
2-N-(3-chloro-4-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 79841294
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82937773) is 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NCc1ccncc1Cl.
What is the InChIKey of 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UVVDDAFGFAEWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-9(8-15(2)3)14-6-10-4-5-13-7-11(10)12/h4-5,7,9,14H,6,8H2,1-3H3.
What are the key properties of 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82937773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).