1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide

C13H26N2O3 — CID 106666723

IUPAC1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
SMILESCOC(C)(C)CCOC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C13H26N2O3/c1-12(2,17-3)7-8-18-10-5-4-6-13(15,9-10)11(14)16/h10H,4-9,15H2,1-3H3,(H2,14,16)
InChIKeyOXWWHGQZYIUXJL-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds6

About 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide

1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide (PubChem CID 106666723) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
PubChem CID106666723
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
SMILESCOC(C)(C)CCOC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C13H26N2O3/c1-12(2,17-3)7-8-18-10-5-4-6-13(15,9-10)11(14)16/h10H,4-9,15H2,1-3H3,(H2,14,16)
InChIKeyOXWWHGQZYIUXJL-UHFFFAOYSA-N
XLogP0.94
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
CID 79637274
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 106666769
methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
CID 106204408
1-amino-3-(2-cyclopropylethoxy)cyclopentane-1-carboxamide
CID 106204224
1-amino-3-pentoxycyclohexane-1-carboxylic acid
CID 79638175
4-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 103032588
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
methyl 1-amino-3-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylate
CID 79638001
1-amino-3-(cyclopentylmethoxy)cyclopentane-1-carboxamide
CID 79653423
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
CID 79638218
4-(3-methoxy-3-methylbutoxy)azepane
CID 106668192
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 115739676

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide (CID 106666723) is 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide is COC(C)(C)CCOC1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide?
The InChIKey is OXWWHGQZYIUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,17-3)7-8-18-10-5-4-6-13(15,9-10)11(14)16/h10H,4-9,15H2,1-3H3,(H2,14,16).
What are the key properties of 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide?
1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 106666723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).