[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone

C13H24N2O3 — CID 106669058

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESCC1CCC(CN)(C(=O)N2CC(O)C(O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-9-2-4-13(8-14,5-3-9)12(18)15-6-10(16)11(17)7-15/h9-11,16-17H,2-8,14H2,1H3
InChIKeyLHCCMQLPLCZFSM-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.29
Rot. Bonds2

About [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106669058) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106669058
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESCC1CCC(CN)(C(=O)N2CC(O)C(O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-9-2-4-13(8-14,5-3-9)12(18)15-6-10(16)11(17)7-15/h9-11,16-17H,2-8,14H2,1H3
InChIKeyLHCCMQLPLCZFSM-UHFFFAOYSA-N
XLogP-0.29
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220721
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 115442062
1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 115441831
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592
[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115441663
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204
2-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856256
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82015373
[1-(aminomethyl)-4-methylcyclohexyl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 115441875
(2S,4S)-1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115442265

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106669058) is [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone is CC1CCC(CN)(C(=O)N2CC(O)C(O)C2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is LHCCMQLPLCZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-2-4-13(8-14,5-3-9)12(18)15-6-10(16)11(17)7-15/h9-11,16-17H,2-8,14H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106669058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).