1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone

C12H21NO — CID 116579394

IUPAC1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone
SMILESCC1CCCC(N)(C(=O)CC2CC2)C1
InChIInChI=1S/C12H21NO/c1-9-3-2-6-12(13,8-9)11(14)7-10-4-5-10/h9-10H,2-8,13H2,1H3
InChIKeyLDJIBRIMLVQATN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds3

About 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone

1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone (PubChem CID 116579394) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone
PubChem CID116579394
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone
SMILESCC1CCCC(N)(C(=O)CC2CC2)C1
InChIInChI=1S/C12H21NO/c1-9-3-2-6-12(13,8-9)11(14)7-10-4-5-10/h9-10H,2-8,13H2,1H3
InChIKeyLDJIBRIMLVQATN-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone
CID 116579429
1-amino-N-(cyclopropylmethyl)-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64551240
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
oxan-4-ylmethyl 1-amino-3-methylcyclohexane-1-carboxylate
CID 62383279

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone?
The IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone (CID 116579394) is 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone?
The canonical SMILES for 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone is CC1CCCC(N)(C(=O)CC2CC2)C1.
What is the InChIKey of 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone?
The InChIKey is LDJIBRIMLVQATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-3-2-6-12(13,8-9)11(14)7-10-4-5-10/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone?
1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone has a molecular weight of 195.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone is sourced from PubChem (CID 116579394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).