3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide

C15H28N2O2 — CID 106000870

IUPAC3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCC1CCCCO1
InChIInChI=1S/C15H28N2O2/c1-11-13(6-4-7-14(11)16)15(18)17-9-8-12-5-2-3-10-19-12/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyGMRNXVBAFUXJTN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide

3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 106000870) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID106000870
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCC1CCCCO1
InChIInChI=1S/C15H28N2O2/c1-11-13(6-4-7-14(11)16)15(18)17-9-8-12-5-2-3-10-19-12/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyGMRNXVBAFUXJTN-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
4-methyl-N-[2-(oxan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 114136026
N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106000950
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782308
3-amino-N-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
CID 66008154
3-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62781994
2,2-dimethyl-3-[2-(oxolan-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835996
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815766
1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114135899
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide (CID 106000870) is 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide is CC1C(N)CCCC1C(=O)NCCC1CCCCO1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is GMRNXVBAFUXJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-13(6-4-7-14(11)16)15(18)17-9-8-12-5-2-3-10-19-12/h11-14H,2-10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106000870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).