3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide

C15H30N2O2 — CID 79637925

IUPAC3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(OC(C)(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-10-17-15(13(16)18)9-7-8-12(11-15)19-14(3,4)6-2/h12,17H,5-11H2,1-4H3,(H2,16,18)
InChIKeyKPXXBCZYIVUYJN-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.36
Rot. Bonds7

About 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide

3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79637925) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79637925
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(OC(C)(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-10-17-15(13(16)18)9-7-8-12(11-15)19-14(3,4)6-2/h12,17H,5-11H2,1-4H3,(H2,16,18)
InChIKeyKPXXBCZYIVUYJN-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649126
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
methyl 1-amino-3-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylate
CID 79638001
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 60795512
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
CID 65088722
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide (CID 79637925) is 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(OC(C)(C)CC)C1.
What is the InChIKey of 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is KPXXBCZYIVUYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-10-17-15(13(16)18)9-7-8-12(11-15)19-14(3,4)6-2/h12,17H,5-11H2,1-4H3,(H2,16,18).
What are the key properties of 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide?
3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).