3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide

C17H33N3O — CID 63045578

IUPAC3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(CNC(=O)C2CCCC(N)C2)(N(C)C)C1
InChIInChI=1S/C17H33N3O/c1-13-6-5-9-17(11-13,20(2)3)12-19-16(21)14-7-4-8-15(18)10-14/h13-15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyLPJGKLYALOZBFX-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 63045578) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID63045578
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(CNC(=O)C2CCCC(N)C2)(N(C)C)C1
InChIInChI=1S/C17H33N3O/c1-13-6-5-9-17(11-13,20(2)3)12-19-16(21)14-7-4-8-15(18)10-14/h13-15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyLPJGKLYALOZBFX-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide (CID 63045578) is 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide is CC1CCCC(CNC(=O)C2CCCC(N)C2)(N(C)C)C1.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is LPJGKLYALOZBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13-6-5-9-17(11-13,20(2)3)12-19-16(21)14-7-4-8-15(18)10-14/h13-15H,4-12,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63045578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).