1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine

C15H25ClN2 — CID 105103285

IUPAC1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccncc1Cl
InChIInChI=1S/C15H25ClN2/c1-4-6-7-12(5-2)10-15(17-3)13-8-9-18-11-14(13)16/h8-9,11-12,15,17H,4-7,10H2,1-3H3
InChIKeyXPMOZTVIFDXHEL-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.60
Rot. Bonds8

About 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine

1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine (PubChem CID 105103285) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
PubChem CID105103285
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccncc1Cl
InChIInChI=1S/C15H25ClN2/c1-4-6-7-12(5-2)10-15(17-3)13-8-9-18-11-14(13)16/h8-9,11-12,15,17H,4-7,10H2,1-3H3
InChIKeyXPMOZTVIFDXHEL-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
[1-(3-chloro-4-pyridinyl)-3-methylhexyl]hydrazine
CID 105298210
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine (CID 105103285) is 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine is CCCCC(CC)CC(NC)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
The InChIKey is XPMOZTVIFDXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-6-7-12(5-2)10-15(17-3)13-8-9-18-11-14(13)16/h8-9,11-12,15,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine has a molecular weight of 268.83 g/mol, XLogP of 4.60, 8 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)-3-ethyl-N-methylheptan-1-amine is sourced from PubChem (CID 105103285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).