1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine

C12H19ClN2 — CID 105138462

IUPAC1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccncc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-9(2)7-12(14-3)10-5-6-15-8-11(10)13/h5-6,8-9,12,14H,4,7H2,1-3H3
InChIKeyRKLHSVYWIVCVHU-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine

1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine (PubChem CID 105138462) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
PubChem CID105138462
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccncc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-9(2)7-12(14-3)10-5-6-15-8-11(10)13/h5-6,8-9,12,14H,4,7H2,1-3H3
InChIKeyRKLHSVYWIVCVHU-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105103285
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201768
[1-(3-chloro-4-pyridinyl)-3-methylhexyl]hydrazine
CID 105298210
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154934
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
CID 105158118
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
CID 105146074

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine (CID 105138462) is 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine?
The InChIKey is RKLHSVYWIVCVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-9(2)7-12(14-3)10-5-6-15-8-11(10)13/h5-6,8-9,12,14H,4,7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine?
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine has a molecular weight of 226.75 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 105138462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).