3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide

C14H24N2O2 — CID 79638102

IUPAC3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(OC2CCC2)C1
InChIInChI=1S/C14H24N2O2/c15-13(17)14(16-10-6-7-10)8-2-5-12(9-14)18-11-3-1-4-11/h10-12,16H,1-9H2,(H2,15,17)
InChIKeyHMUCKIIESQUDLW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.47
Rot. Bonds5

About 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide

3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide (PubChem CID 79638102) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide
PubChem CID79638102
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(OC2CCC2)C1
InChIInChI=1S/C14H24N2O2/c15-13(17)14(16-10-6-7-10)8-2-5-12(9-14)18-11-3-1-4-11/h10-12,16H,1-9H2,(H2,15,17)
InChIKeyHMUCKIIESQUDLW-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide
CID 102607420
1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
1-(cyclopentylamino)-3-methoxycyclobutane-1-carboxamide
CID 106822486
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
1-(cyclopropylamino)-3-methylcyclopentane-1-carboxamide
CID 64513100
1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide
CID 106822494
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749
3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79636571

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide (CID 79638102) is 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide is NC(=O)C1(NC2CC2)CCCC(OC2CCC2)C1.
What is the InChIKey of 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The InChIKey is HMUCKIIESQUDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-13(17)14(16-10-6-7-10)8-2-5-12(9-14)18-11-3-1-4-11/h10-12,16H,1-9H2,(H2,15,17).
What are the key properties of 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide?
3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79638102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).