1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine

C14H23ClN2 — CID 83162025

IUPAC1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccc(Cl)cn1
InChIInChI=1S/C14H23ClN2/c1-4-16-13(7-5-6-11(2)3)14-9-8-12(15)10-17-14/h8-11,13,16H,4-7H2,1-3H3
InChIKeyAKJAAGUVAQOYCF-UHFFFAOYSA-N
MW254.81 g/mol
LogP4.21
Rot. Bonds7

About 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine

1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 83162025) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID83162025
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccc(Cl)cn1
InChIInChI=1S/C14H23ClN2/c1-4-16-13(7-5-6-11(2)3)14-9-8-12(15)10-17-14/h8-11,13,16H,4-7H2,1-3H3
InChIKeyAKJAAGUVAQOYCF-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349
1-(5-chloro-2-pyridinyl)butylhydrazine
CID 105251364
(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131165748
5-chloro-2-octan-2-ylpyridine
CID 130320586
2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine
CID 63560015
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine (CID 83162025) is 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is AKJAAGUVAQOYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-16-13(7-5-6-11(2)3)14-9-8-12(15)10-17-14/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine?
1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 254.81 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 83162025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).