(1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine

C12H18N2 — CID 142796329

IUPAC(1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine
SMILESC[C@H]1C[C@@H](N)C[C@@H](c2ccccn2)C1
InChIInChI=1S/C12H18N2/c1-9-6-10(8-11(13)7-9)12-4-2-3-5-14-12/h2-5,9-11H,6-8,13H2,1H3/t9-,10+,11-/m1/s1
InChIKeyQNBQNKOFCTUPQI-OUAUKWLOSA-N
MW190.29 g/mol
LogP2.31
Rot. Bonds1

About (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine

(1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine (PubChem CID 142796329) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine
PubChem CID142796329
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine
SMILESC[C@H]1C[C@@H](N)C[C@@H](c2ccccn2)C1
InChIInChI=1S/C12H18N2/c1-9-6-10(8-11(13)7-9)12-4-2-3-5-14-12/h2-5,9-11H,6-8,13H2,1H3/t9-,10+,11-/m1/s1
InChIKeyQNBQNKOFCTUPQI-OUAUKWLOSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
cis-(1R,3S)-3-pyridin-2-ylcyclopentan-1-amine
CID 67133523
1-methyl-5-pyridin-2-ylpiperidin-3-amine
CID 82403097
2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine
CID 58652054
(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
2-(4-methylazetidin-2-yl)pyridine
CID 116822058
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
(3R,5S)-2-methyl-3-[(3S,5S)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 6541701
ethane;2-(3-methylcyclobutyl)oxypyridine
CID 169213104
(3S,5R)-2-methyl-3-[(3S,5R)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 701268
4-pyridin-2-ylcyclohexan-1-one
CID 21187660
3-[methylamino(pyridin-2-yl)methyl]cyclobutan-1-amine
CID 116952496

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine?
The IUPAC name of (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine (CID 142796329) is (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine.
What is the SMILES notation for (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine?
The canonical SMILES for (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine is C[C@H]1C[C@@H](N)C[C@@H](c2ccccn2)C1.
What is the InChIKey of (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine?
The InChIKey is QNBQNKOFCTUPQI-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-10(8-11(13)7-9)12-4-2-3-5-14-12/h2-5,9-11H,6-8,13H2,1H3/t9-,10+,11-/m1/s1.
What are the key properties of (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine?
(1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S)-3-methyl-5-pyridin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 142796329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).