1-cyclopropyl-N-methylbuta-2,3-dien-1-imine

C8H11N — CID 166084214

IUPAC1-cyclopropyl-N-methylbuta-2,3-dien-1-imine
SMILESC=C=C/C(=N\C)C1CC1
InChIInChI=1S/C8H11N/c1-3-4-8(9-2)7-5-6-7/h4,7H,1,5-6H2,2H3/b9-8+
InChIKeyIJGHCOPTIDWXTJ-CMDGGOBGSA-N
MW121.18 g/mol
LogP1.81
Rot. Bonds2

About 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine

1-cyclopropyl-N-methylbuta-2,3-dien-1-imine (PubChem CID 166084214) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-N-methylbuta-2,3-dien-1-imine
PubChem CID166084214
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-cyclopropyl-N-methylbuta-2,3-dien-1-imine
SMILESC=C=C/C(=N\C)C1CC1
InChIInChI=1S/C8H11N/c1-3-4-8(9-2)7-5-6-7/h4,7H,1,5-6H2,2H3/b9-8+
InChIKeyIJGHCOPTIDWXTJ-CMDGGOBGSA-N
XLogP1.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.81
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

1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine
CID 139563741
N,4-dimethylhex-1-en-3-imine
CID 123150138
N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine
CID 123592884
N,4-dimethylpent-1-en-3-imine
CID 123960611
1-cyclopropyl-N-methylprop-2-en-1-imine
CID 130440573
1-(2-ethylcyclopropyl)-N-methylprop-2-en-1-imine
CID 130440767
1-cyclopropyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 144912503
3-N,4-N,5-trimethylhex-1-ene-3,4-diimine
CID 156516578
(Z)-1-cyclopropyl-N-methylbut-2-en-1-imine
CID 163730169
(Z)-1-cyclopropyl-N,3-dimethylhex-2-en-1-imine
CID 176925654

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine?
The IUPAC name of 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine (CID 166084214) is 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine.
What is the SMILES notation for 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine?
The canonical SMILES for 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine is C=C=C/C(=N\C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine?
The InChIKey is IJGHCOPTIDWXTJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-3-4-8(9-2)7-5-6-7/h4,7H,1,5-6H2,2H3/b9-8+.
What are the key properties of 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine?
1-cyclopropyl-N-methylbuta-2,3-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methylbuta-2,3-dien-1-imine is sourced from PubChem (CID 166084214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).