1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine

C11H17ClN2 — CID 105125649

IUPAC1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-4-5-11(13-2)9-6-7-14-8-10(9)12/h6-8,11,13H,3-5H2,1-2H3
InChIKeyKELVAHKRGRBBIA-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.19
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine

1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine (PubChem CID 105125649) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
PubChem CID105125649
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-4-5-11(13-2)9-6-7-14-8-10(9)12/h6-8,11,13H,3-5H2,1-2H3
InChIKeyKELVAHKRGRBBIA-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.19
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)pentan-1-amine
CID 55270416
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
CID 105139865
[1-(3-chloro-4-pyridinyl)-3-methylhexyl]hydrazine
CID 105298210
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
CID 105158118
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine (CID 105125649) is 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine is CCCCC(NC)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine?
The InChIKey is KELVAHKRGRBBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-3-4-5-11(13-2)9-6-7-14-8-10(9)12/h6-8,11,13H,3-5H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine?
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 3.19, 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-methylpentan-1-amine is sourced from PubChem (CID 105125649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).