2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide

C17H27N3O — CID 61210410

IUPAC2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2ccccc2N)(N(C)C)C1
InChIInChI=1S/C17H27N3O/c1-13-7-6-10-17(11-13,20(2)3)12-19-16(21)14-8-4-5-9-15(14)18/h4-5,8-9,13H,6-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyBQODTDHMTFPHTE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide

2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide (PubChem CID 61210410) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
PubChem CID61210410
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2ccccc2N)(N(C)C)C1
InChIInChI=1S/C17H27N3O/c1-13-7-6-10-17(11-13,20(2)3)12-19-16(21)14-8-4-5-9-15(14)18/h4-5,8-9,13H,6-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyBQODTDHMTFPHTE-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
CID 119947204
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide
CID 61210791
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61210970
N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 52510515
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide
CID 78968404
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide (CID 61210410) is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide is CC1CCCC(CNC(=O)c2ccccc2N)(N(C)C)C1.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide?
The InChIKey is BQODTDHMTFPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-6-10-17(11-13,20(2)3)12-19-16(21)14-8-4-5-9-15(14)18/h4-5,8-9,13H,6-7,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide?
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 61210410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).