3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide

C14H28N2O2 — CID 81074510

IUPAC3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCN(C)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)18-8-7-16(3)14(17)13-6-4-5-12(9-13)10-15/h11-13H,4-10,15H2,1-3H3
InChIKeyFUGDEFZUDYSKAS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide (PubChem CID 81074510) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
PubChem CID81074510
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCN(C)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)18-8-7-16(3)14(17)13-6-4-5-12(9-13)10-15/h11-13H,4-10,15H2,1-3H3
InChIKeyFUGDEFZUDYSKAS-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide
CID 79863893
3-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074064
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
3-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074150
N-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 80710136
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102998102
N,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidine-2-carboxamide
CID 81056495
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 83618379
3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102871203
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide (CID 81074510) is 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide is CC(C)OCCN(C)C(=O)C1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
The InChIKey is FUGDEFZUDYSKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)18-8-7-16(3)14(17)13-6-4-5-12(9-13)10-15/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 81074510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).