N-(2-methylpentyl)pentan-2-imine

C11H23N — CID 123573423

IUPACN-(2-methylpentyl)pentan-2-imine
SMILESCCC/C(C)=N/CC(C)CCC
InChIInChI=1S/C11H23N/c1-5-7-10(3)9-12-11(4)8-6-2/h10H,5-9H2,1-4H3/b12-11+
InChIKeyDZCJDUXOBNXNCC-VAWYXSNFSA-N
MW169.31 g/mol
LogP3.68
Rot. Bonds6

About N-(2-methylpentyl)pentan-2-imine

N-(2-methylpentyl)pentan-2-imine (PubChem CID 123573423) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(2-methylpentyl)pentan-2-imine.

Molecular Properties

Compound NameN-(2-methylpentyl)pentan-2-imine
PubChem CID123573423
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(2-methylpentyl)pentan-2-imine
SMILESCCC/C(C)=N/CC(C)CCC
InChIInChI=1S/C11H23N/c1-5-7-10(3)9-12-11(4)8-6-2/h10H,5-9H2,1-4H3/b12-11+
InChIKeyDZCJDUXOBNXNCC-VAWYXSNFSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.68
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-(2-triethoxysilylpropyl)pentan-2-imine
CID 141498426
(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
CID 170442301
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
6-methyl-N-pent-1-en-2-ylnonan-2-imine
CID 146259544
4-methylheptane;propane
CID 142171269
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
3-methylhexane;2-methylprop-1-ene
CID 165405684
benzene;tert-butyl(2-methylpentyl)diazene
CID 70406831
acetylene;4-methylheptane
CID 143164229
(2R)-pentan-2-ol
CID 7014876
6-methylnonan-2-ol
CID 19931334

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)pentan-2-imine?
The IUPAC name of N-(2-methylpentyl)pentan-2-imine (CID 123573423) is N-(2-methylpentyl)pentan-2-imine.
What is the SMILES notation for N-(2-methylpentyl)pentan-2-imine?
The canonical SMILES for N-(2-methylpentyl)pentan-2-imine is CCC/C(C)=N/CC(C)CCC.
What is the InChIKey of N-(2-methylpentyl)pentan-2-imine?
The InChIKey is DZCJDUXOBNXNCC-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-10(3)9-12-11(4)8-6-2/h10H,5-9H2,1-4H3/b12-11+.
What are the key properties of N-(2-methylpentyl)pentan-2-imine?
N-(2-methylpentyl)pentan-2-imine has a molecular weight of 169.31 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)pentan-2-imine is sourced from PubChem (CID 123573423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).