cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide

C8H16N2O — CID 93311266

IUPACcis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
SMILESC[C@H]1CCC[C@@](N)(C(N)=O)C1
InChIInChI=1S/C8H16N2O/c1-6-3-2-4-8(10,5-6)7(9)11/h6H,2-5,10H2,1H3,(H2,9,11)/t6-,8-/m0/s1
InChIKeySDIIMRDPIGEJIP-XPUUQOCRSA-N
MW156.23 g/mol
LogP0.38
Rot. Bonds1

About cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide

cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide (PubChem CID 93311266) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
PubChem CID93311266
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Namecis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
SMILESC[C@H]1CCC[C@@](N)(C(N)=O)C1
InChIInChI=1S/C8H16N2O/c1-6-3-2-4-8(10,5-6)7(9)11/h6H,2-5,10H2,1H3,(H2,9,11)/t6-,8-/m0/s1
InChIKeySDIIMRDPIGEJIP-XPUUQOCRSA-N
XLogP0.38
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
CID 116579256
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
CID 79638218
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone
CID 116579394
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide (CID 93311266) is cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide is C[C@H]1CCC[C@@](N)(C(N)=O)C1.
What is the InChIKey of cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide?
The InChIKey is SDIIMRDPIGEJIP-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-3-2-4-8(10,5-6)7(9)11/h6H,2-5,10H2,1H3,(H2,9,11)/t6-,8-/m0/s1.
What are the key properties of cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide?
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide has a molecular weight of 156.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 93311266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).