N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine

C16H33N — CID 59366451

IUPACN,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine
SMILESC/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-12(17-11)14(5,6)16(9,10)15(7,8)13(2,3)4/h1-11H3/b17-12+
InChIKeyXGIHVXNTVCDKET-SFQUDFHCSA-N
MW239.45 g/mol
LogP5.20
Rot. Bonds3

About N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine

N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine (PubChem CID 59366451) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine.

Molecular Properties

Compound NameN,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine
PubChem CID59366451
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine
SMILESC/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-12(17-11)14(5,6)16(9,10)15(7,8)13(2,3)4/h1-11H3/b17-12+
InChIKeyXGIHVXNTVCDKET-SFQUDFHCSA-N
XLogP5.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.20
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,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine?
The IUPAC name of N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine (CID 59366451) is N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine.
What is the SMILES notation for N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine?
The canonical SMILES for N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine is C/N=C(\C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine?
The InChIKey is XGIHVXNTVCDKET-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H33N/c1-12(17-11)14(5,6)16(9,10)15(7,8)13(2,3)4/h1-11H3/b17-12+.
What are the key properties of N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine?
N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine has a molecular weight of 239.45 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine is sourced from PubChem (CID 59366451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).