(Z)-N,2,2,6-tetramethylhept-3-en-1-imine

C11H21N — CID 88576886

IUPAC(Z)-N,2,2,6-tetramethylhept-3-en-1-imine
SMILESC/N=C/C(C)(C)/C=C\CC(C)C
InChIInChI=1S/C11H21N/c1-10(2)7-6-8-11(3,4)9-12-5/h6,8-10H,7H2,1-5H3/b8-6-,12-9+
InChIKeyQXFWHZCMQUKRHP-ZHAQITPWSA-N
MW167.30 g/mol
LogP3.32
Rot. Bonds4

About (Z)-N,2,2,6-tetramethylhept-3-en-1-imine

(Z)-N,2,2,6-tetramethylhept-3-en-1-imine (PubChem CID 88576886) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z)-N,2,2,6-tetramethylhept-3-en-1-imine.

Molecular Properties

Compound Name(Z)-N,2,2,6-tetramethylhept-3-en-1-imine
PubChem CID88576886
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z)-N,2,2,6-tetramethylhept-3-en-1-imine
SMILESC/N=C/C(C)(C)/C=C\CC(C)C
InChIInChI=1S/C11H21N/c1-10(2)7-6-8-11(3,4)9-12-5/h6,8-10H,7H2,1-5H3/b8-6-,12-9+
InChIKeyQXFWHZCMQUKRHP-ZHAQITPWSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,2,2,6-tetramethylhept-3-en-1-imine?
The IUPAC name of (Z)-N,2,2,6-tetramethylhept-3-en-1-imine (CID 88576886) is (Z)-N,2,2,6-tetramethylhept-3-en-1-imine.
What is the SMILES notation for (Z)-N,2,2,6-tetramethylhept-3-en-1-imine?
The canonical SMILES for (Z)-N,2,2,6-tetramethylhept-3-en-1-imine is C/N=C/C(C)(C)/C=C\CC(C)C.
What is the InChIKey of (Z)-N,2,2,6-tetramethylhept-3-en-1-imine?
The InChIKey is QXFWHZCMQUKRHP-ZHAQITPWSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)7-6-8-11(3,4)9-12-5/h6,8-10H,7H2,1-5H3/b8-6-,12-9+.
What are the key properties of (Z)-N,2,2,6-tetramethylhept-3-en-1-imine?
(Z)-N,2,2,6-tetramethylhept-3-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2,2,6-tetramethylhept-3-en-1-imine is sourced from PubChem (CID 88576886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).