N,3,5,5-tetramethylhept-6-en-2-imine

C11H21N — CID 123612758

IUPACN,3,5,5-tetramethylhept-6-en-2-imine
SMILESC=CC(C)(C)CC(C)/C(C)=N/C
InChIInChI=1S/C11H21N/c1-7-11(4,5)8-9(2)10(3)12-6/h7,9H,1,8H2,2-6H3/b12-10+
InChIKeyJEXUKCBBKDESSK-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.32
Rot. Bonds4

About N,3,5,5-tetramethylhept-6-en-2-imine

N,3,5,5-tetramethylhept-6-en-2-imine (PubChem CID 123612758) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,3,5,5-tetramethylhept-6-en-2-imine.

Molecular Properties

Compound NameN,3,5,5-tetramethylhept-6-en-2-imine
PubChem CID123612758
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,3,5,5-tetramethylhept-6-en-2-imine
SMILESC=CC(C)(C)CC(C)/C(C)=N/C
InChIInChI=1S/C11H21N/c1-7-11(4,5)8-9(2)10(3)12-6/h7,9H,1,8H2,2-6H3/b12-10+
InChIKeyJEXUKCBBKDESSK-ZRDIBKRKSA-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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Related Compounds

2,3-Dimethyl-3-(2-methylpropyl)pyrrole
CID 90014511
3,3-Dimethyl-2-(2-methylpropyl)pyrrole
CID 90015757
2-(2,3-dimethylbutan-2-yl)-3H-pyrrole
CID 118967359
N,4-dimethylhex-1-en-3-imine
CID 123150138
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
N,3,3,5,5-pentamethylhept-6-en-2-imine
CID 123270736
5,6-dimethyl-5-prop-2-enyl-3,4-dihydro-2H-pyridine
CID 123379998
N,5,5-trimethyl-4-methylidenehexan-3-imine
CID 123488530
3-ethyl-4-methyl-N-propan-2-ylhept-6-en-2-imine
CID 123513645
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
N,3,5,8-tetramethyldec-6-en-2-imine
CID 123617244
N,4-dimethylhept-1-en-3-imine
CID 123647931

Frequently Asked Questions

What is the IUPAC name of N,3,5,5-tetramethylhept-6-en-2-imine?
The IUPAC name of N,3,5,5-tetramethylhept-6-en-2-imine (CID 123612758) is N,3,5,5-tetramethylhept-6-en-2-imine.
What is the SMILES notation for N,3,5,5-tetramethylhept-6-en-2-imine?
The canonical SMILES for N,3,5,5-tetramethylhept-6-en-2-imine is C=CC(C)(C)CC(C)/C(C)=N/C.
What is the InChIKey of N,3,5,5-tetramethylhept-6-en-2-imine?
The InChIKey is JEXUKCBBKDESSK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-7-11(4,5)8-9(2)10(3)12-6/h7,9H,1,8H2,2-6H3/b12-10+.
What are the key properties of N,3,5,5-tetramethylhept-6-en-2-imine?
N,3,5,5-tetramethylhept-6-en-2-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 N,3,5,5-tetramethylhept-6-en-2-imine is sourced from PubChem (CID 123612758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).