5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine

C12H19ClN2 — CID 63925701

IUPAC5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
SMILESCC(C)CCC(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2/c1-9(2)4-5-10(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeySAQPADHLHBAOPF-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.97
Rot. Bonds5

About 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine

5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine (PubChem CID 63925701) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
PubChem CID63925701
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
SMILESCC(C)CCC(C)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2/c1-9(2)4-5-10(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeySAQPADHLHBAOPF-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
CID 115744742
5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
CID 130639953
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925501
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
N-[bis(phosphanyl)methyl]-5-chloropyridin-2-amine
CID 118465848
2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
CID 65314143
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
N-(6-methylheptan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63539653
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231577
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine (CID 63925701) is 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine is CC(C)CCC(C)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
The InChIKey is SAQPADHLHBAOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-9(2)4-5-10(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine?
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine is sourced from PubChem (CID 63925701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).