2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine

C14H21ClN2 — CID 102879005

IUPAC2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
SMILESCc1cncc(CNC2CCCCCC2Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-7-12(9-16-8-11)10-17-14-6-4-2-3-5-13(14)15/h7-9,13-14,17H,2-6,10H2,1H3
InChIKeyPTMKVRZIMXJXDZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine

2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine (PubChem CID 102879005) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
PubChem CID102879005
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
SMILESCc1cncc(CNC2CCCCCC2Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-7-12(9-16-8-11)10-17-14-6-4-2-3-5-13(14)15/h7-9,13-14,17H,2-6,10H2,1H3
InChIKeyPTMKVRZIMXJXDZ-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 102878907
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
CID 104797130
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 65025555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
The IUPAC name of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine (CID 102879005) is 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine is Cc1cncc(CNC2CCCCCC2Cl)c1.
What is the InChIKey of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
The InChIKey is PTMKVRZIMXJXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-7-12(9-16-8-11)10-17-14-6-4-2-3-5-13(14)15/h7-9,13-14,17H,2-6,10H2,1H3.
What are the key properties of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine?
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 102879005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).