N,2,2,5,6,6-hexamethylhept-4-en-3-imine

C13H25N — CID 123161539

IUPACN,2,2,5,6,6-hexamethylhept-4-en-3-imine
SMILESC/N=C(\C=C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-10(12(2,3)4)9-11(14-8)13(5,6)7/h9H,1-8H3/b10-9?,14-11+
InChIKeyAWJSSMNCTAGHEH-XLRZWSSJSA-N
MW195.35 g/mol
LogP4.10
Rot. Bonds1

About N,2,2,5,6,6-hexamethylhept-4-en-3-imine

N,2,2,5,6,6-hexamethylhept-4-en-3-imine (PubChem CID 123161539) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,2,2,5,6,6-hexamethylhept-4-en-3-imine.

Molecular Properties

Compound NameN,2,2,5,6,6-hexamethylhept-4-en-3-imine
PubChem CID123161539
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,2,2,5,6,6-hexamethylhept-4-en-3-imine
SMILESC/N=C(\C=C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-10(12(2,3)4)9-11(14-8)13(5,6)7/h9H,1-8H3/b10-9?,14-11+
InChIKeyAWJSSMNCTAGHEH-XLRZWSSJSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
(Z)-N,2,2,7,7-pentamethyl-6-methylideneoct-4-en-3-imine
CID 169243501
(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 87414942
(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
CID 134214023
(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine
CID 142179621
(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine
CID 130238736
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
(3Z,4E)-3-ethylidene-5,6,6-trimethylhepta-1,4-diene
CID 153392507
(E)-1-bromo-2,3,3-trimethylbut-1-ene
CID 15737642
(E)-1-chloro-2,3,3-trimethylbut-1-ene
CID 167165936
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)
CID 173040884

Frequently Asked Questions

What is the IUPAC name of N,2,2,5,6,6-hexamethylhept-4-en-3-imine?
The IUPAC name of N,2,2,5,6,6-hexamethylhept-4-en-3-imine (CID 123161539) is N,2,2,5,6,6-hexamethylhept-4-en-3-imine.
What is the SMILES notation for N,2,2,5,6,6-hexamethylhept-4-en-3-imine?
The canonical SMILES for N,2,2,5,6,6-hexamethylhept-4-en-3-imine is C/N=C(\C=C(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,2,2,5,6,6-hexamethylhept-4-en-3-imine?
The InChIKey is AWJSSMNCTAGHEH-XLRZWSSJSA-N. The full InChI is InChI=1S/C13H25N/c1-10(12(2,3)4)9-11(14-8)13(5,6)7/h9H,1-8H3/b10-9?,14-11+.
What are the key properties of N,2,2,5,6,6-hexamethylhept-4-en-3-imine?
N,2,2,5,6,6-hexamethylhept-4-en-3-imine has a molecular weight of 195.35 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,6,6-hexamethylhept-4-en-3-imine is sourced from PubChem (CID 123161539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).