trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine

C14H21N3 — CID 130430329

IUPACtrans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine
SMILESc1cncc([C@@H]2C[C@H]2NCN2CCCCC2)c1
InChIInChI=1S/C14H21N3/c1-2-7-17(8-3-1)11-16-14-9-13(14)12-5-4-6-15-10-12/h4-6,10,13-14,16H,1-3,7-9,11H2/t13-,14+/m0/s1
InChIKeyYGRQELKKHFDSIL-UONOGXRCSA-N
MW231.34 g/mol
LogP1.97
Rot. Bonds4

About trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine

trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine (PubChem CID 130430329) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine
PubChem CID130430329
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Nametrans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine
SMILESc1cncc([C@@H]2C[C@H]2NCN2CCCCC2)c1
InChIInChI=1S/C14H21N3/c1-2-7-17(8-3-1)11-16-14-9-13(14)12-5-4-6-15-10-12/h4-6,10,13-14,16H,1-3,7-9,11H2/t13-,14+/m0/s1
InChIKeyYGRQELKKHFDSIL-UONOGXRCSA-N
XLogP1.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
CID 155208156
N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
CID 71522236
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10774486
N-prop-2-ynyl-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]acetamide
CID 96534401
1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164633722
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine (CID 130430329) is trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine is c1cncc([C@@H]2C[C@H]2NCN2CCCCC2)c1.
What is the InChIKey of trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine?
The InChIKey is YGRQELKKHFDSIL-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-7-17(8-3-1)11-16-14-9-13(14)12-5-4-6-15-10-12/h4-6,10,13-14,16H,1-3,7-9,11H2/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine?
trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine is sourced from PubChem (CID 130430329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).