2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide

C16H32N2O — CID 104677793

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
SMILESCC(N(C)C(=O)CC1(CN)CCCCC1)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-13(15(2,3)4)18(5)14(19)11-16(12-17)9-7-6-8-10-16/h13H,6-12,17H2,1-5H3
InChIKeyUTHBKCOEQRVCQG-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide (PubChem CID 104677793) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
PubChem CID104677793
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
SMILESCC(N(C)C(=O)CC1(CN)CCCCC1)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-13(15(2,3)4)18(5)14(19)11-16(12-17)9-7-6-8-10-16/h13H,6-12,17H2,1-5H3
InChIKeyUTHBKCOEQRVCQG-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 104677794
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide
CID 104677614
2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 104677648
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 81171717
2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64701474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide (CID 104677793) is 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide is CC(N(C)C(=O)CC1(CN)CCCCC1)C(C)(C)C.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide?
The InChIKey is UTHBKCOEQRVCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(15(2,3)4)18(5)14(19)11-16(12-17)9-7-6-8-10-16/h13H,6-12,17H2,1-5H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide has a molecular weight of 268.44 g/mol, XLogP of 3.18, 4 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-(3,3-dimethylbutan-2-yl)-N-methylacetamide is sourced from PubChem (CID 104677793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).