3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide

C15H28N2O2 — CID 62781110

IUPAC3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(C)CC2CCCCO2)CC1N
InChIInChI=1S/C15H28N2O2/c1-11-6-7-12(9-14(11)16)15(18)17(2)10-13-5-3-4-8-19-13/h11-14H,3-10,16H2,1-2H3
InChIKeyNNJVGHQMOABHAO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide

3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 62781110) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID62781110
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(C)CC2CCCCO2)CC1N
InChIInChI=1S/C15H28N2O2/c1-11-6-7-12(9-14(11)16)15(18)17(2)10-13-5-3-4-8-19-13/h11-14H,3-10,16H2,1-2H3
InChIKeyNNJVGHQMOABHAO-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55236563
9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988662
2-amino-N-methyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823844
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
CID 66237284
tert-butyl 3-[methyl(oxan-2-ylmethyl)carbamoyl]azetidine-1-carboxylate
CID 142434776
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N,6-dimethyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 61436111
N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 113226309
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
trans-(1R,2R)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 98787224
3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119805598

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide (CID 62781110) is 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide is CC1CCC(C(=O)N(C)CC2CCCCO2)CC1N.
What is the InChIKey of 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is NNJVGHQMOABHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-6-7-12(9-14(11)16)15(18)17(2)10-13-5-3-4-8-19-13/h11-14H,3-10,16H2,1-2H3.
What are the key properties of 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62781110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).