1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine

C11H19N — CID 89066210

IUPAC1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine
SMILESCCC/N=C(\C=C(C)C)C1CC1
InChIInChI=1S/C11H19N/c1-4-7-12-11(8-9(2)3)10-5-6-10/h8,10H,4-7H2,1-3H3/b12-11+
InChIKeyPAIHHAMPQNEBPN-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds4

About 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine

1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine (PubChem CID 89066210) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine
PubChem CID89066210
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine
SMILESCCC/N=C(\C=C(C)C)C1CC1
InChIInChI=1S/C11H19N/c1-4-7-12-11(8-9(2)3)10-5-6-10/h8,10H,4-7H2,1-3H3/b12-11+
InChIKeyPAIHHAMPQNEBPN-VAWYXSNFSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine?
The IUPAC name of 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine (CID 89066210) is 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine?
The canonical SMILES for 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine is CCC/N=C(\C=C(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine?
The InChIKey is PAIHHAMPQNEBPN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-4-7-12-11(8-9(2)3)10-5-6-10/h8,10H,4-7H2,1-3H3/b12-11+.
What are the key properties of 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine?
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine is sourced from PubChem (CID 89066210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).