(Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine

C11H21N — CID 89165929

IUPAC(Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine
SMILESC/C=C\C=N\CC(C)CC(C)C
InChIInChI=1S/C11H21N/c1-5-6-7-12-9-11(4)8-10(2)3/h5-7,10-11H,8-9H2,1-4H3/b6-5-,12-7+
InChIKeyNWRFXAIXHHUTNM-UNKATYBDSA-N
MW167.30 g/mol
LogP3.32
Rot. Bonds5

About (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine

(Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine (PubChem CID 89165929) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine
PubChem CID89165929
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine
SMILESC/C=C\C=N\CC(C)CC(C)C
InChIInChI=1S/C11H21N/c1-5-6-7-12-9-11(4)8-10(2)3/h5-7,10-11H,8-9H2,1-4H3/b6-5-,12-7+
InChIKeyNWRFXAIXHHUTNM-UNKATYBDSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.32
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 (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine?
The IUPAC name of (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine (CID 89165929) is (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine is C/C=C\C=N\CC(C)CC(C)C.
What is the InChIKey of (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine?
The InChIKey is NWRFXAIXHHUTNM-UNKATYBDSA-N. The full InChI is InChI=1S/C11H21N/c1-5-6-7-12-9-11(4)8-10(2)3/h5-7,10-11H,8-9H2,1-4H3/b6-5-,12-7+.
What are the key properties of (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine?
(Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,4-dimethylpentyl)but-2-en-1-imine is sourced from PubChem (CID 89165929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).