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

C13H21ClN2 — CID 115906670

IUPACN-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C13H21ClN2/c1-3-4-5-6-11(2)15-10-13-8-7-12(14)9-16-13/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyNHOAFDAOMUEIEF-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.79
Rot. Bonds7

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

N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine (PubChem CID 115906670) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine
PubChem CID115906670
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C13H21ClN2/c1-3-4-5-6-11(2)15-10-13-8-7-12(14)9-16-13/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyNHOAFDAOMUEIEF-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride
CID 158480549
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46220080
5-chloro-2-octan-2-ylpyridine
CID 130320586
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpentan-1-amine
CID 115908938
3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide
CID 115906699
N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine
CID 62847900
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
2-N-[(5-chloro-2-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407636
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine (CID 115906670) is N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine is CCCCCC(C)NCc1ccc(Cl)cn1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine?
The InChIKey is NHOAFDAOMUEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-4-5-6-11(2)15-10-13-8-7-12(14)9-16-13/h7-9,11,15H,3-6,10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine?
N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine has a molecular weight of 240.78 g/mol, XLogP of 3.79, 7 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]heptan-2-amine is sourced from PubChem (CID 115906670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).