1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine

C15H25ClN2 — CID 114201768

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)C)c1ccncc1Cl
InChIInChI=1S/C15H25ClN2/c1-5-18-15(9-12(4)8-11(2)3)13-6-7-17-10-14(13)16/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyIIPALVPDGKMZIU-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.46
Rot. Bonds7

About 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine

1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine (PubChem CID 114201768) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
PubChem CID114201768
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)C)c1ccncc1Cl
InChIInChI=1S/C15H25ClN2/c1-5-18-15(9-12(4)8-11(2)3)13-6-7-17-10-14(13)16/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyIIPALVPDGKMZIU-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462
1-(3-chloro-4-pyridinyl)-N-ethylbut-3-yn-1-amine
CID 105077416
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
[1-(3-chloro-4-pyridinyl)-3-methylhexyl]hydrazine
CID 105298210
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175018
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine (CID 114201768) is 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine is CCNC(CC(C)CC(C)C)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine?
The InChIKey is IIPALVPDGKMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-18-15(9-12(4)8-11(2)3)13-6-7-17-10-14(13)16/h6-7,10-12,15,18H,5,8-9H2,1-4H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine?
1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine has a molecular weight of 268.83 g/mol, XLogP of 4.46, 7 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-ethyl-3,5-dimethylhexan-1-amine is sourced from PubChem (CID 114201768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).