N-methyl-4-propan-2-ylideneheptan-3-imine

C11H21N — CID 142516258

IUPACN-methyl-4-propan-2-ylideneheptan-3-imine
SMILESCCCC(=C(C)C)/C(CC)=N/C
InChIInChI=1S/C11H21N/c1-6-8-10(9(3)4)11(7-2)12-5/h6-8H2,1-5H3/b12-11+
InChIKeyIZIGVIDEBBAWRL-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-4-propan-2-ylideneheptan-3-imine

N-methyl-4-propan-2-ylideneheptan-3-imine (PubChem CID 142516258) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-4-propan-2-ylideneheptan-3-imine.

Molecular Properties

Compound NameN-methyl-4-propan-2-ylideneheptan-3-imine
PubChem CID142516258
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-4-propan-2-ylideneheptan-3-imine
SMILESCCCC(=C(C)C)/C(CC)=N/C
InChIInChI=1S/C11H21N/c1-6-8-10(9(3)4)11(7-2)12-5/h6-8H2,1-5H3/b12-11+
InChIKeyIZIGVIDEBBAWRL-VAWYXSNFSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
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-methyl-4-propan-2-ylideneheptan-3-imine?
The IUPAC name of N-methyl-4-propan-2-ylideneheptan-3-imine (CID 142516258) is N-methyl-4-propan-2-ylideneheptan-3-imine.
What is the SMILES notation for N-methyl-4-propan-2-ylideneheptan-3-imine?
The canonical SMILES for N-methyl-4-propan-2-ylideneheptan-3-imine is CCCC(=C(C)C)/C(CC)=N/C.
What is the InChIKey of N-methyl-4-propan-2-ylideneheptan-3-imine?
The InChIKey is IZIGVIDEBBAWRL-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-6-8-10(9(3)4)11(7-2)12-5/h6-8H2,1-5H3/b12-11+.
What are the key properties of N-methyl-4-propan-2-ylideneheptan-3-imine?
N-methyl-4-propan-2-ylideneheptan-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-ylideneheptan-3-imine is sourced from PubChem (CID 142516258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).