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

C14H27N — CID 59366455

IUPACN,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-10(12(3)15-9)11(2)14(7,8)13(4,5)6/h1-9H3/b11-10?,15-12+
InChIKeyRHSJHUMXXGATCD-ODDDKGJZSA-N
MW209.38 g/mol
LogP4.49
Rot. Bonds2

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

N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine (PubChem CID 59366455) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine.

Molecular Properties

Compound NameN,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
PubChem CID59366455
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-10(12(3)15-9)11(2)14(7,8)13(4,5)6/h1-9H3/b11-10?,15-12+
InChIKeyRHSJHUMXXGATCD-ODDDKGJZSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.49
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 N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine?
The IUPAC name of N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine (CID 59366455) is N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine.
What is the SMILES notation for N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine?
The canonical SMILES for N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine is C/N=C(\C)C(C)=C(C)C(C)(C)C(C)(C)C.
What is the InChIKey of N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine?
The InChIKey is RHSJHUMXXGATCD-ODDDKGJZSA-N. The full InChI is InChI=1S/C14H27N/c1-10(12(3)15-9)11(2)14(7,8)13(4,5)6/h1-9H3/b11-10?,15-12+.
What are the key properties of N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine?
N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine is sourced from PubChem (CID 59366455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).