[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine

C13H21N3 — CID 96608736

IUPAC[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine
SMILESC[C@@H]1[C@@H](CN)CCCCN1c1ccccn1
InChIInChI=1S/C13H21N3/c1-11-12(10-14)6-3-5-9-16(11)13-7-2-4-8-15-13/h2,4,7-8,11-12H,3,5-6,9-10,14H2,1H3/t11-,12-/m1/s1
InChIKeyJIUMWVMSZIPVIK-VXGBXAGGSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds2

About [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine

[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine (PubChem CID 96608736) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine
PubChem CID96608736
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine
SMILESC[C@@H]1[C@@H](CN)CCCCN1c1ccccn1
InChIInChI=1S/C13H21N3/c1-11-12(10-14)6-3-5-9-16(11)13-7-2-4-8-15-13/h2,4,7-8,11-12H,3,5-6,9-10,14H2,1H3/t11-,12-/m1/s1
InChIKeyJIUMWVMSZIPVIK-VXGBXAGGSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
CID 96618250
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
[(2R,3R)-2-methyl-1-(3-methylphenyl)azepan-3-yl]methanamine
CID 96598379
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473
(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
tert-butyl-dimethyl-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]silane
CID 177415257
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
5-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 130855888
[1-(5-tert-butyl-2-pyridinyl)azepan-2-yl]methanamine
CID 107875713

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine (CID 96608736) is [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine is C[C@@H]1[C@@H](CN)CCCCN1c1ccccn1.
What is the InChIKey of [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine?
The InChIKey is JIUMWVMSZIPVIK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-12(10-14)6-3-5-9-16(11)13-7-2-4-8-15-13/h2,4,7-8,11-12H,3,5-6,9-10,14H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine?
[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine is sourced from PubChem (CID 96608736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).