3-cyclopropylbutan-2-imine

C7H13N — CID 163671590

IUPAC3-cyclopropylbutan-2-imine
SMILES[H]/N=C(\C)C(C)C1CC1
InChIInChI=1S/C7H13N/c1-5(6(2)8)7-3-4-7/h5,7-8H,3-4H2,1-2H3/b8-6+
InChIKeyJDAOMOQNYCUVFH-SOFGYWHQSA-N
MW111.19 g/mol
LogP2.07
Rot. Bonds2

About 3-cyclopropylbutan-2-imine

3-cyclopropylbutan-2-imine (PubChem CID 163671590) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-cyclopropylbutan-2-imine.

Molecular Properties

Compound Name3-cyclopropylbutan-2-imine
PubChem CID163671590
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-cyclopropylbutan-2-imine
SMILES[H]/N=C(\C)C(C)C1CC1
InChIInChI=1S/C7H13N/c1-5(6(2)8)7-3-4-7/h5,7-8H,3-4H2,1-2H3/b8-6+
InChIKeyJDAOMOQNYCUVFH-SOFGYWHQSA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyclopropylpropanimidamide
CID 95732542
3-methylbut-3-en-2-ylcyclopropane
CID 91068451
1-N-(1-cyclopropylethyl)propane-1,2-diimine
CID 123669963
4-cyclopropyl-2-methylpent-1-en-3-one
CID 115780996
(2S)-3-imino-N-methylbutan-2-amine
CID 147887389
3-cyclohexylbutan-2-one;2-methylpropyl ethanimidate
CID 142109990
4-methoxy-3-methylpentan-2-imine
CID 174533690
(3S)-3-diazenylbutan-2-imine
CID 163736167
3-imino-2-methylbutanenitrile
CID 54304607
1-(1-cyclopropylethoxy)ethylcyclopropane
CID 23618436
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
(3S)-3-methylhexan-2-imine
CID 149359557

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylbutan-2-imine?
The IUPAC name of 3-cyclopropylbutan-2-imine (CID 163671590) is 3-cyclopropylbutan-2-imine.
What is the SMILES notation for 3-cyclopropylbutan-2-imine?
The canonical SMILES for 3-cyclopropylbutan-2-imine is [H]/N=C(\C)C(C)C1CC1.
What is the InChIKey of 3-cyclopropylbutan-2-imine?
The InChIKey is JDAOMOQNYCUVFH-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N/c1-5(6(2)8)7-3-4-7/h5,7-8H,3-4H2,1-2H3/b8-6+.
What are the key properties of 3-cyclopropylbutan-2-imine?
3-cyclopropylbutan-2-imine has a molecular weight of 111.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylbutan-2-imine is sourced from PubChem (CID 163671590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).