3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide

C14H26N2O2 — CID 114114596

IUPAC3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2(C)CCCOC2)CC1N
InChIInChI=1S/C14H26N2O2/c1-10-4-5-11(8-12(10)15)13(17)16-14(2)6-3-7-18-9-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyXSRBDPJNZVCJGR-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds2

About 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide

3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide (PubChem CID 114114596) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide
PubChem CID114114596
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2(C)CCCOC2)CC1N
InChIInChI=1S/C14H26N2O2/c1-10-4-5-11(8-12(10)15)13(17)16-14(2)6-3-7-18-9-14/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyXSRBDPJNZVCJGR-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114113509
3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide
CID 113489159
(3-methyloxan-3-yl)urea
CID 103895709
4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113491088
(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
CID 134513239
3-methyl-1-[(3-methyloxan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114114285
2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
CID 103899257
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
CID 105420547
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
cis-(1S,3R)-3-(methylamino)-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide
CID 122513048
3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 83025000

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide (CID 114114596) is 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide is CC1CCC(C(=O)NC2(C)CCCOC2)CC1N.
What is the InChIKey of 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is XSRBDPJNZVCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-4-5-11(8-12(10)15)13(17)16-14(2)6-3-7-18-9-14/h10-12H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide?
3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114114596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).