2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide

C16H32N2O — CID 104677794

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)N(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-14(3)18(4)15(19)11-16(12-17)8-6-5-7-9-16/h13-14H,5-12,17H2,1-4H3
InChIKeyVPCWBENILDYLKY-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide (PubChem CID 104677794) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
PubChem CID104677794
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)N(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-14(3)18(4)15(19)11-16(12-17)8-6-5-7-9-16/h13-14H,5-12,17H2,1-4H3
InChIKeyVPCWBENILDYLKY-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 104677793
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide
CID 104677614
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(2-methylpropyl)acetamide
CID 81178763
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 104677901
1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
CID 116614308

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide (CID 104677794) is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide is CC(C)CC(C)N(C)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
The InChIKey is VPCWBENILDYLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)10-14(3)18(4)15(19)11-16(12-17)8-6-5-7-9-16/h13-14H,5-12,17H2,1-4H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide has a molecular weight of 268.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 104677794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).