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

C16H33N3O — CID 76895695

IUPAC2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
SMILESCC1CCCC(CNC(=O)C(N)C(C)(C)C)(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-12-8-7-9-16(10-12,19(5)6)11-18-14(20)13(17)15(2,3)4/h12-13H,7-11,17H2,1-6H3,(H,18,20)
InChIKeyDWLQVWJXQLJITK-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds4

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

2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide (PubChem CID 76895695) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
PubChem CID76895695
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
SMILESCC1CCCC(CNC(=O)C(N)C(C)(C)C)(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-12-8-7-9-16(10-12,19(5)6)11-18-14(20)13(17)15(2,3)4/h12-13H,7-11,17H2,1-6H3,(H,18,20)
InChIKeyDWLQVWJXQLJITK-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 65229264
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
CID 81071607
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide (CID 76895695) is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide is CC1CCCC(CNC(=O)C(N)C(C)(C)C)(N(C)C)C1.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is DWLQVWJXQLJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12-8-7-9-16(10-12,19(5)6)11-18-14(20)13(17)15(2,3)4/h12-13H,7-11,17H2,1-6H3,(H,18,20).
What are the key properties of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide?
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 76895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).