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

C14H27N — CID 59366449

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

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

N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine (PubChem CID 59366449) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine.

Molecular Properties

Compound NameN,3,3,4,5,6,6-heptamethylhept-4-en-2-imine
PubChem CID59366449
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,3,3,4,5,6,6-heptamethylhept-4-en-2-imine
SMILESC/N=C(\C)C(C)(C)C(C)=C(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-10(13(4,5)6)11(2)14(7,8)12(3)15-9/h1-9H3/b11-10?,15-12+
InChIKeyDCGHYDXEKPKSPK-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,3,4,5-Pentamethylpyrrole
CID 301930
2H-Pyrrole, 3,4-dihydro-4,4,5-trimethyl-2-(1-methylethylidene)-
CID 5325603
1,2,3,3,4,5-Hexamethylpyrrol-1-ium
CID 21043311
(Z)-N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 58299412
N,2,2,7-tetramethyloct-6-en-3-imine
CID 58590902
N,3,3,4,4,5,6-heptamethylhept-5-en-2-imine
CID 59366448
N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 59366455
(3E,6E)-2-N,8-N,3,4,6,7-hexamethylnona-3,6-diene-2,8-diimine
CID 89900803
N,4,5-trimethylhept-4-en-3-imine
CID 91220474
N,2,2,5,6,6-hexamethylhept-4-en-3-imine
CID 123161539
3-tert-butyl-N-ethyl-4-methylpent-3-en-2-imine
CID 123426799
N,5,6-trimethyloct-5-en-4-imine
CID 123876539

Frequently Asked Questions

What is the IUPAC name of N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine?
The IUPAC name of N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine (CID 59366449) is N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine.
What is the SMILES notation for N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine?
The canonical SMILES for N,3,3,4,5,6,6-heptamethylhept-4-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,3,3,4,5,6,6-heptamethylhept-4-en-2-imine?
The InChIKey is DCGHYDXEKPKSPK-ODDDKGJZSA-N. The full InChI is InChI=1S/C14H27N/c1-10(13(4,5)6)11(2)14(7,8)12(3)15-9/h1-9H3/b11-10?,15-12+.
What are the key properties of N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine?
N,3,3,4,5,6,6-heptamethylhept-4-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,3,3,4,5,6,6-heptamethylhept-4-en-2-imine is sourced from PubChem (CID 59366449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).