[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone

C14H27N3O — CID 129414979

IUPAC[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
SMILESC[C@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C14H27N3O/c1-10(15)13-7-2-3-8-17(13)14(18)11-5-4-6-12(16)9-11/h10-13H,2-9,15-16H2,1H3/t10-,11+,12+,13-/m0/s1
InChIKeyVXQUUKATLHUGSA-LOWDOPEQSA-N
MW253.39 g/mol
LogP1.23
Rot. Bonds2

About [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone

[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone (PubChem CID 129414979) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
PubChem CID129414979
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
SMILESC[C@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C14H27N3O/c1-10(15)13-7-2-3-8-17(13)14(18)11-5-4-6-12(16)9-11/h10-13H,2-9,15-16H2,1H3/t10-,11+,12+,13-/m0/s1
InChIKeyVXQUUKATLHUGSA-LOWDOPEQSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330680
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone?
The IUPAC name of [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone (CID 129414979) is [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone is C[C@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](N)C1.
What is the InChIKey of [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone?
The InChIKey is VXQUUKATLHUGSA-LOWDOPEQSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(15)13-7-2-3-8-17(13)14(18)11-5-4-6-12(16)9-11/h10-13H,2-9,15-16H2,1H3/t10-,11+,12+,13-/m0/s1.
What are the key properties of [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone?
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 129414979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).