[1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium

C10H21N2O+ — CID 20608646

IUPAC[1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium
SMILESCC(C)(C)CCNC(=O)C1([NH3+])CC1
InChIInChI=1S/C10H20N2O/c1-9(2,3)6-7-12-8(13)10(11)4-5-10/h4-7,11H2,1-3H3,(H,12,13)/p+1
InChIKeyKMZTUPUFIXHWKY-UHFFFAOYSA-O
MW185.29 g/mol
LogP0.31
Rot. Bonds3

About [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium

[1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium (PubChem CID 20608646) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium.

Molecular Properties

Compound Name[1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium
PubChem CID20608646
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name[1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium
SMILESCC(C)(C)CCNC(=O)C1([NH3+])CC1
InChIInChI=1S/C10H20N2O/c1-9(2,3)6-7-12-8(13)10(11)4-5-10/h4-7,11H2,1-3H3,(H,12,13)/p+1
InChIKeyKMZTUPUFIXHWKY-UHFFFAOYSA-O
XLogP0.31
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium?
The IUPAC name of [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium (CID 20608646) is [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium.
What is the SMILES notation for [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium?
The canonical SMILES for [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium is CC(C)(C)CCNC(=O)C1([NH3+])CC1.
What is the InChIKey of [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium?
The InChIKey is KMZTUPUFIXHWKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-9(2,3)6-7-12-8(13)10(11)4-5-10/h4-7,11H2,1-3H3,(H,12,13)/p+1.
What are the key properties of [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium?
[1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium has a molecular weight of 185.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutylcarbamoyl)cyclopropyl]azanium is sourced from PubChem (CID 20608646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).