[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone

C14H27N3O — CID 125147083

IUPAC[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@H]1CN
InChIInChI=1S/C14H27N3O/c1-10-4-3-7-17(13(10)9-15)14(18)11-5-2-6-12(16)8-11/h10-13H,2-9,15-16H2,1H3/t10-,11-,12+,13+/m1/s1
InChIKeyUGMYLEPVWSKQPS-NDBYEHHHSA-N
MW253.39 g/mol
LogP1.09
Rot. Bonds2

About [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone

[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone (PubChem CID 125147083) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
PubChem CID125147083
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@H]1CN
InChIInChI=1S/C14H27N3O/c1-10-4-3-7-17(13(10)9-15)14(18)11-5-2-6-12(16)8-11/h10-13H,2-9,15-16H2,1H3/t10-,11-,12+,13+/m1/s1
InChIKeyUGMYLEPVWSKQPS-NDBYEHHHSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 119597339
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124592788
[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
CID 119260965
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(thian-4-yl)methanone
CID 125147034
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686128
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103807145
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone (CID 125147083) is [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone is C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@H]1CN.
What is the InChIKey of [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone?
The InChIKey is UGMYLEPVWSKQPS-NDBYEHHHSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-4-3-7-17(13(10)9-15)14(18)11-5-2-6-12(16)8-11/h10-13H,2-9,15-16H2,1H3/t10-,11-,12+,13+/m1/s1.
What are the key properties of [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone?
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 125147083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).