(2Z)-2-ethylidene-N,3-dimethylheptan-1-imine

C11H21N — CID 129194089

IUPAC(2Z)-2-ethylidene-N,3-dimethylheptan-1-imine
SMILESC/C=C(\C=N\C)C(C)CCCC
InChIInChI=1S/C11H21N/c1-5-7-8-10(3)11(6-2)9-12-4/h6,9-10H,5,7-8H2,1-4H3/b11-6+,12-9+
InChIKeyOJWDLJLHTDQJET-MOPWJCKASA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds5

About (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine

(2Z)-2-ethylidene-N,3-dimethylheptan-1-imine (PubChem CID 129194089) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-N,3-dimethylheptan-1-imine
PubChem CID129194089
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2Z)-2-ethylidene-N,3-dimethylheptan-1-imine
SMILESC/C=C(\C=N\C)C(C)CCCC
InChIInChI=1S/C11H21N/c1-5-7-8-10(3)11(6-2)9-12-4/h6,9-10H,5,7-8H2,1-4H3/b11-6+,12-9+
InChIKeyOJWDLJLHTDQJET-MOPWJCKASA-N
XLogP3.46
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 ≤ 53.46
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 (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine?
The IUPAC name of (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine (CID 129194089) is (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine.
What is the SMILES notation for (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine?
The canonical SMILES for (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine is C/C=C(\C=N\C)C(C)CCCC.
What is the InChIKey of (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine?
The InChIKey is OJWDLJLHTDQJET-MOPWJCKASA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-10(3)11(6-2)9-12-4/h6,9-10H,5,7-8H2,1-4H3/b11-6+,12-9+.
What are the key properties of (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine?
(2Z)-2-ethylidene-N,3-dimethylheptan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-N,3-dimethylheptan-1-imine is sourced from PubChem (CID 129194089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).