N-(1-cyclopropylideneethyl)butan-2-imine

C9H15N — CID 123591135

IUPACN-(1-cyclopropylideneethyl)butan-2-imine
SMILESCC/C(C)=N/C(C)=C1CC1
InChIInChI=1S/C9H15N/c1-4-7(2)10-8(3)9-5-6-9/h4-6H2,1-3H3/b10-7+
InChIKeyLBEMBSXPNSGCHK-JXMROGBWSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds2

About N-(1-cyclopropylideneethyl)butan-2-imine

N-(1-cyclopropylideneethyl)butan-2-imine (PubChem CID 123591135) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(1-cyclopropylideneethyl)butan-2-imine.

Molecular Properties

Compound NameN-(1-cyclopropylideneethyl)butan-2-imine
PubChem CID123591135
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(1-cyclopropylideneethyl)butan-2-imine
SMILESCC/C(C)=N/C(C)=C1CC1
InChIInChI=1S/C9H15N/c1-4-7(2)10-8(3)9-5-6-9/h4-6H2,1-3H3/b10-7+
InChIKeyLBEMBSXPNSGCHK-JXMROGBWSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine
CID 59879256
N-(3-methylpent-2-en-2-yl)propan-2-imine
CID 123477094
N-(1-cyclopropylidenepropyl)but-3-en-2-imine
CID 123763533
N-(3-methylpent-2-en-2-yl)butan-2-imine
CID 123767604
N-(1-cyclopropylideneethyl)but-3-en-2-imine
CID 123957758
3-methyl-N-(3-methylpent-2-en-2-yl)butan-2-imine
CID 124000497
N-(2,4-dimethylpent-2-en-3-yl)propan-2-imine
CID 126603650
N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
CID 143444586
2,3,4-Trimethylazete
CID 154556462
methane;2,4,5-trimethyl-3H-pyrrole
CID 161337167
5-ethyl-2,4-dimethyl-3H-pyrrole
CID 163859472
N-[(E)-3,4-dimethylpent-2-en-2-yl]butan-2-imine;ethane
CID 166105485

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylideneethyl)butan-2-imine?
The IUPAC name of N-(1-cyclopropylideneethyl)butan-2-imine (CID 123591135) is N-(1-cyclopropylideneethyl)butan-2-imine.
What is the SMILES notation for N-(1-cyclopropylideneethyl)butan-2-imine?
The canonical SMILES for N-(1-cyclopropylideneethyl)butan-2-imine is CC/C(C)=N/C(C)=C1CC1.
What is the InChIKey of N-(1-cyclopropylideneethyl)butan-2-imine?
The InChIKey is LBEMBSXPNSGCHK-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7(2)10-8(3)9-5-6-9/h4-6H2,1-3H3/b10-7+.
What are the key properties of N-(1-cyclopropylideneethyl)butan-2-imine?
N-(1-cyclopropylideneethyl)butan-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylideneethyl)butan-2-imine is sourced from PubChem (CID 123591135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).