N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine

C12H19ClN2 — CID 115908938

IUPACN-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNCc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2/c1-3-4-10(2)7-14-9-12-6-5-11(13)8-15-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3
InChIKeyAPEDOPJKYDRTEE-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.26
Rot. Bonds6

About N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine

N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine (PubChem CID 115908938) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine
PubChem CID115908938
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNCc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2/c1-3-4-10(2)7-14-9-12-6-5-11(13)8-15-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3
InChIKeyAPEDOPJKYDRTEE-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine
CID 115906670
(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride
CID 158480549
1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
2-[(5-chloro-2-pyridinyl)methylamino]ethanol
CID 19767951
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
2-N-[(5-chloro-2-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407636
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 115907389
2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine
CID 103285679
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine (CID 115908938) is N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine is CCCC(C)CNCc1ccc(Cl)cn1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine?
The InChIKey is APEDOPJKYDRTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-4-10(2)7-14-9-12-6-5-11(13)8-15-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine?
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine has a molecular weight of 226.75 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 115908938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).