2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide

C15H28N2O2 — CID 65050897

IUPAC2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COC1(CN)CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-14(2)6-8-15(11-16,9-7-14)19-10-13(18)17(3)12-4-5-12/h12H,4-11,16H2,1-3H3
InChIKeySYUXPAYHLFCPEP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds5

About 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide (PubChem CID 65050897) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide
PubChem CID65050897
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COC1(CN)CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-14(2)6-8-15(11-16,9-7-14)19-10-13(18)17(3)12-4-5-12/h12H,4-11,16H2,1-3H3
InChIKeySYUXPAYHLFCPEP-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
CID 65052011
N-cyclopropyl-N-methyl-2-(3-methylpiperidin-3-yl)oxyacetamide
CID 107385622
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245
2-[1-(aminomethyl)cyclopentyl]oxy-N-methyl-N-propan-2-ylacetamide
CID 65051036
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-ethyl-N-methylacetamide
CID 65051568
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N,N-diethylacetamide
CID 65052460
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide
CID 65050836
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
CID 62006209
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
CID 121438943
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
4-O-[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 1-O-methyl but-2-enedioate
CID 123792522
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide (CID 65050897) is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide is CN(C(=O)COC1(CN)CCC(C)(C)CC1)C1CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide?
The InChIKey is SYUXPAYHLFCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)6-8-15(11-16,9-7-14)19-10-13(18)17(3)12-4-5-12/h12H,4-11,16H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide?
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 65050897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).