N-but-1-en-2-yl-4-methylidenehexan-3-imine

C11H19N — CID 177149088

IUPACN-but-1-en-2-yl-4-methylidenehexan-3-imine
SMILESC=C(CC)/N=C(\CC)C(=C)CC
InChIInChI=1S/C11H19N/c1-6-9(4)11(8-3)12-10(5)7-2/h4-8H2,1-3H3/b12-11+
InChIKeyYUAVBTMOLNNQAD-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds5

About N-but-1-en-2-yl-4-methylidenehexan-3-imine

N-but-1-en-2-yl-4-methylidenehexan-3-imine (PubChem CID 177149088) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-methylidenehexan-3-imine.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-methylidenehexan-3-imine
PubChem CID177149088
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-but-1-en-2-yl-4-methylidenehexan-3-imine
SMILESC=C(CC)/N=C(\CC)C(=C)CC
InChIInChI=1S/C11H19N/c1-6-9(4)11(8-3)12-10(5)7-2/h4-8H2,1-3H3/b12-11+
InChIKeyYUAVBTMOLNNQAD-VAWYXSNFSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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 N-but-1-en-2-yl-4-methylidenehexan-3-imine?
The IUPAC name of N-but-1-en-2-yl-4-methylidenehexan-3-imine (CID 177149088) is N-but-1-en-2-yl-4-methylidenehexan-3-imine.
What is the SMILES notation for N-but-1-en-2-yl-4-methylidenehexan-3-imine?
The canonical SMILES for N-but-1-en-2-yl-4-methylidenehexan-3-imine is C=C(CC)/N=C(\CC)C(=C)CC.
What is the InChIKey of N-but-1-en-2-yl-4-methylidenehexan-3-imine?
The InChIKey is YUAVBTMOLNNQAD-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9(4)11(8-3)12-10(5)7-2/h4-8H2,1-3H3/b12-11+.
What are the key properties of N-but-1-en-2-yl-4-methylidenehexan-3-imine?
N-but-1-en-2-yl-4-methylidenehexan-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-methylidenehexan-3-imine is sourced from PubChem (CID 177149088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).