1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide

C16H30N2O — CID 64554668

IUPAC1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC2CCC(C)(C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-12-5-4-8-16(17,11-12)14(19)18-13-6-9-15(2,3)10-7-13/h12-13H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyJTSYIZJFONYKJO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds2

About 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64554668) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64554668
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC2CCC(C)(C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-12-5-4-8-16(17,11-12)14(19)18-13-6-9-15(2,3)10-7-13/h12-13H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyJTSYIZJFONYKJO-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide
CID 64551452
1-amino-N-(1,1-dioxothian-3-yl)-3-methylcyclohexane-1-carboxamide
CID 64554877
1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819
1-amino-N-(2-hydroxycyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64552758
1-amino-N-(2,3-dimethylcyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 64909548
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid
CID 64554848
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide (CID 64554668) is 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NC2CCC(C)(C)CC2)C1.
What is the InChIKey of 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is JTSYIZJFONYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-5-4-8-16(17,11-12)14(19)18-13-6-9-15(2,3)10-7-13/h12-13H,4-11,17H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64554668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).