2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide

C16H33N3O — CID 78986830

IUPAC2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
SMILESCC1CCCC(CNC(=O)CNC(C)(C)C)(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-13-8-7-9-16(10-13,19(5)6)12-17-14(20)11-18-15(2,3)4/h13,18H,7-12H2,1-6H3,(H,17,20)
InChIKeyFXCIXYUWCMJVGO-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds5

About 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide

2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide (PubChem CID 78986830) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
PubChem CID78986830
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
SMILESCC1CCCC(CNC(=O)CNC(C)(C)C)(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-13-8-7-9-16(10-13,19(5)6)12-17-14(20)11-18-15(2,3)4/h13,18H,7-12H2,1-6H3,(H,17,20)
InChIKeyFXCIXYUWCMJVGO-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492175
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
tert-butyl 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]acetate
CID 61212863
3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea
CID 110902753

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide (CID 78986830) is 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide is CC1CCCC(CNC(=O)CNC(C)(C)C)(N(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
The InChIKey is FXCIXYUWCMJVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13-8-7-9-16(10-13,19(5)6)12-17-14(20)11-18-15(2,3)4/h13,18H,7-12H2,1-6H3,(H,17,20).
What are the key properties of 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide is sourced from PubChem (CID 78986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).