2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine

C10H15N — CID 121480682

IUPAC2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine
SMILES[H]/N=C/C(CC)C1C=C1C1CC1
InChIInChI=1S/C10H15N/c1-2-7(6-11)9-5-10(9)8-3-4-8/h5-9,11H,2-4H2,1H3/b11-6+
InChIKeyTZLWPLLIMGXMHX-IZZDOVSWSA-N
MW149.24 g/mol
LogP2.63
Rot. Bonds4

About 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine

2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine (PubChem CID 121480682) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine.

Molecular Properties

Compound Name2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine
PubChem CID121480682
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine
SMILES[H]/N=C/C(CC)C1C=C1C1CC1
InChIInChI=1S/C10H15N/c1-2-7(6-11)9-5-10(9)8-3-4-8/h5-9,11H,2-4H2,1H3/b11-6+
InChIKeyTZLWPLLIMGXMHX-IZZDOVSWSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine?
The IUPAC name of 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine (CID 121480682) is 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine.
What is the SMILES notation for 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine?
The canonical SMILES for 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine is [H]/N=C/C(CC)C1C=C1C1CC1.
What is the InChIKey of 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine?
The InChIKey is TZLWPLLIMGXMHX-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H15N/c1-2-7(6-11)9-5-10(9)8-3-4-8/h5-9,11H,2-4H2,1H3/b11-6+.
What are the key properties of 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine?
2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylcycloprop-2-en-1-yl)butan-1-imine is sourced from PubChem (CID 121480682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).