1-(oxan-4-ylamino)cyclopropane-1-carboxamide

C9H16N2O2 — CID 127007956

IUPAC1-(oxan-4-ylamino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(NC2CCOCC2)CC1
InChIInChI=1S/C9H16N2O2/c10-8(12)9(3-4-9)11-7-1-5-13-6-2-7/h7,11H,1-6H2,(H2,10,12)
InChIKeyIINYJGMUFUTIJT-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.23
Rot. Bonds3

About 1-(oxan-4-ylamino)cyclopropane-1-carboxamide

1-(oxan-4-ylamino)cyclopropane-1-carboxamide (PubChem CID 127007956) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(oxan-4-ylamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-ylamino)cyclopropane-1-carboxamide
PubChem CID127007956
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(oxan-4-ylamino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(NC2CCOCC2)CC1
InChIInChI=1S/C9H16N2O2/c10-8(12)9(3-4-9)11-7-1-5-13-6-2-7/h7,11H,1-6H2,(H2,10,12)
InChIKeyIINYJGMUFUTIJT-UHFFFAOYSA-N
XLogP-0.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-ylamino)cyclopropane-1-carboxamide
CID 130637054
1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
8-(cyclopropylamino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 54891087
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
1-(cyclopentylamino)-4-methylcyclohexane-1-carboxamide
CID 61002718
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275
1-(cyclopropylamino)-3-methylcyclopentane-1-carboxamide
CID 64513100
methyl 4-(cyclopropylamino)oxane-4-carboxylate
CID 60796151
1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxamide
CID 112682408
3-(cyclohexylamino)thietane-3-carboxamide
CID 131124021
1-(cyclopropylamino)-4-phenylcyclohexane-1-carboxamide
CID 60796821
4-(cyclopropylamino)-1-propylpiperidine-4-carboxamide
CID 60796952

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylamino)cyclopropane-1-carboxamide?
The IUPAC name of 1-(oxan-4-ylamino)cyclopropane-1-carboxamide (CID 127007956) is 1-(oxan-4-ylamino)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(oxan-4-ylamino)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(oxan-4-ylamino)cyclopropane-1-carboxamide is NC(=O)C1(NC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylamino)cyclopropane-1-carboxamide?
The InChIKey is IINYJGMUFUTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-8(12)9(3-4-9)11-7-1-5-13-6-2-7/h7,11H,1-6H2,(H2,10,12).
What are the key properties of 1-(oxan-4-ylamino)cyclopropane-1-carboxamide?
1-(oxan-4-ylamino)cyclopropane-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 127007956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).