N-(3-ethyl-5-methylhexan-3-yl)methanimine

C10H21N — CID 142214422

IUPACN-(3-ethyl-5-methylhexan-3-yl)methanimine
SMILESC=NC(CC)(CC)CC(C)C
InChIInChI=1S/C10H21N/c1-6-10(7-2,11-5)8-9(3)4/h9H,5-8H2,1-4H3
InChIKeyIVYMUIIOOLZZKV-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.29
Rot. Bonds5

About N-(3-ethyl-5-methylhexan-3-yl)methanimine

N-(3-ethyl-5-methylhexan-3-yl)methanimine (PubChem CID 142214422) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-(3-ethyl-5-methylhexan-3-yl)methanimine.

Molecular Properties

Compound NameN-(3-ethyl-5-methylhexan-3-yl)methanimine
PubChem CID142214422
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-(3-ethyl-5-methylhexan-3-yl)methanimine
SMILESC=NC(CC)(CC)CC(C)C
InChIInChI=1S/C10H21N/c1-6-10(7-2,11-5)8-9(3)4/h9H,5-8H2,1-4H3
InChIKeyIVYMUIIOOLZZKV-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.29
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-ethyl-5-methylhexan-3-yl)methanimine?
The IUPAC name of N-(3-ethyl-5-methylhexan-3-yl)methanimine (CID 142214422) is N-(3-ethyl-5-methylhexan-3-yl)methanimine.
What is the SMILES notation for N-(3-ethyl-5-methylhexan-3-yl)methanimine?
The canonical SMILES for N-(3-ethyl-5-methylhexan-3-yl)methanimine is C=NC(CC)(CC)CC(C)C.
What is the InChIKey of N-(3-ethyl-5-methylhexan-3-yl)methanimine?
The InChIKey is IVYMUIIOOLZZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-6-10(7-2,11-5)8-9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of N-(3-ethyl-5-methylhexan-3-yl)methanimine?
N-(3-ethyl-5-methylhexan-3-yl)methanimine has a molecular weight of 155.28 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methylhexan-3-yl)methanimine is sourced from PubChem (CID 142214422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).