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

C12H23N — CID 123186995

IUPACN,3,3,5,6-pentamethylhept-6-en-2-imine
SMILESC=C(C)C(C)CC(C)(C)/C(C)=N/C
InChIInChI=1S/C12H23N/c1-9(2)10(3)8-12(5,6)11(4)13-7/h10H,1,8H2,2-7H3/b13-11+
InChIKeyGORLJNUPFCSBLZ-ACCUITESSA-N
MW181.32 g/mol
LogP3.71
Rot. Bonds4

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

N,3,3,5,6-pentamethylhept-6-en-2-imine (PubChem CID 123186995) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,3,3,5,6-pentamethylhept-6-en-2-imine.

Molecular Properties

Compound NameN,3,3,5,6-pentamethylhept-6-en-2-imine
PubChem CID123186995
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,3,3,5,6-pentamethylhept-6-en-2-imine
SMILESC=C(C)C(C)CC(C)(C)/C(C)=N/C
InChIInChI=1S/C12H23N/c1-9(2)10(3)8-12(5,6)11(4)13-7/h10H,1,8H2,2-7H3/b13-11+
InChIKeyGORLJNUPFCSBLZ-ACCUITESSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.71
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

3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
Dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium
CID 134861922
3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
CID 143491190
2-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 58490892
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
N,2,5-trimethyl-4-methylidenehexan-3-imine
CID 91017057
N,3,3,5,5-pentamethylhept-6-en-2-imine
CID 123270736
3,3,5,5,6-Pentamethylhept-6-en-2-imine
CID 123379673
N-ethyl-3,6,7-trimethyloct-7-en-4-imine
CID 123411082
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
CID 123459444

Frequently Asked Questions

What is the IUPAC name of N,3,3,5,6-pentamethylhept-6-en-2-imine?
The IUPAC name of N,3,3,5,6-pentamethylhept-6-en-2-imine (CID 123186995) is N,3,3,5,6-pentamethylhept-6-en-2-imine.
What is the SMILES notation for N,3,3,5,6-pentamethylhept-6-en-2-imine?
The canonical SMILES for N,3,3,5,6-pentamethylhept-6-en-2-imine is C=C(C)C(C)CC(C)(C)/C(C)=N/C.
What is the InChIKey of N,3,3,5,6-pentamethylhept-6-en-2-imine?
The InChIKey is GORLJNUPFCSBLZ-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)10(3)8-12(5,6)11(4)13-7/h10H,1,8H2,2-7H3/b13-11+.
What are the key properties of N,3,3,5,6-pentamethylhept-6-en-2-imine?
N,3,3,5,6-pentamethylhept-6-en-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,5,6-pentamethylhept-6-en-2-imine is sourced from PubChem (CID 123186995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).