1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide

C13H26N2O2 — CID 79637274

IUPAC1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
SMILESCC(C)(C)CCOC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)7-8-17-10-5-4-6-13(15,9-10)11(14)16/h10H,4-9,15H2,1-3H3,(H2,14,16)
InChIKeyYIZAGASQXIKPIX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.56
Rot. Bonds4

About 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide

1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide (PubChem CID 79637274) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
PubChem CID79637274
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
SMILESCC(C)(C)CCOC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)7-8-17-10-5-4-6-13(15,9-10)11(14)16/h10H,4-9,15H2,1-3H3,(H2,14,16)
InChIKeyYIZAGASQXIKPIX-UHFFFAOYSA-N
XLogP1.56
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
CID 106666723
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
1-amino-3-(2-cyclopropylethoxy)cyclopentane-1-carboxamide
CID 106204224
3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653496
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563
methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
CID 106204408
1-amino-3-pentoxycyclohexane-1-carboxylic acid
CID 79638175
1-amino-3-(cyclopentylmethoxy)cyclopentane-1-carboxamide
CID 79653423
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
CID 79638218
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-3-octan-2-yloxycyclohexane-1-carboxamide
CID 79637541

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide (CID 79637274) is 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide is CC(C)(C)CCOC1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide?
The InChIKey is YIZAGASQXIKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)7-8-17-10-5-4-6-13(15,9-10)11(14)16/h10H,4-9,15H2,1-3H3,(H2,14,16).
What are the key properties of 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide?
1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).