[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride

C8H18ClNO — CID 10726048

IUPAC[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride
SMILESCCCCC1CC1([NH3+])CO.[Cl-]
InChIInChI=1S/C8H17NO.ClH/c1-2-3-4-7-5-8(7,9)6-10;/h7,10H,2-6,9H2,1H3;1H
InChIKeyOQNVEKUGLPFRIK-UHFFFAOYSA-N
MW179.69 g/mol
LogP-2.83
Rot. Bonds4

About [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride

[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride (PubChem CID 10726048) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride.

Molecular Properties

Compound Name[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride
PubChem CID10726048
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride
SMILESCCCCC1CC1([NH3+])CO.[Cl-]
InChIInChI=1S/C8H17NO.ClH/c1-2-3-4-7-5-8(7,9)6-10;/h7,10H,2-6,9H2,1H3;1H
InChIKeyOQNVEKUGLPFRIK-UHFFFAOYSA-N
XLogP-2.83
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-2.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride?
The IUPAC name of [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride (CID 10726048) is [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride.
What is the SMILES notation for [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride?
The canonical SMILES for [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride is CCCCC1CC1([NH3+])CO.[Cl-].
What is the InChIKey of [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride?
The InChIKey is OQNVEKUGLPFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-2-3-4-7-5-8(7,9)6-10;/h7,10H,2-6,9H2,1H3;1H.
What are the key properties of [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride?
[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride has a molecular weight of 179.69 g/mol, XLogP of -2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride is sourced from PubChem (CID 10726048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).