N,2,4-trimethylhexan-3-imine

C9H19N — CID 535830

IUPACN,2,4-trimethylhexan-3-imine
SMILESCCC(C)/C(=N/C)C(C)C
InChIInChI=1S/C9H19N/c1-6-8(4)9(10-5)7(2)3/h7-8H,6H2,1-5H3/b10-9+
InChIKeyJOGZEZCTPLUKAL-MDZDMXLPSA-N
MW141.26 g/mol
LogP2.76
Rot. Bonds3

About N,2,4-trimethylhexan-3-imine

N,2,4-trimethylhexan-3-imine (PubChem CID 535830) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,2,4-trimethylhexan-3-imine.

Molecular Properties

Compound NameN,2,4-trimethylhexan-3-imine
PubChem CID535830
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,2,4-trimethylhexan-3-imine
SMILESCCC(C)/C(=N/C)C(C)C
InChIInChI=1S/C9H19N/c1-6-8(4)9(10-5)7(2)3/h7-8H,6H2,1-5H3/b10-9+
InChIKeyJOGZEZCTPLUKAL-MDZDMXLPSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.76
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,2,4-trimethylhexan-3-imine?
The IUPAC name of N,2,4-trimethylhexan-3-imine (CID 535830) is N,2,4-trimethylhexan-3-imine.
What is the SMILES notation for N,2,4-trimethylhexan-3-imine?
The canonical SMILES for N,2,4-trimethylhexan-3-imine is CCC(C)/C(=N/C)C(C)C.
What is the InChIKey of N,2,4-trimethylhexan-3-imine?
The InChIKey is JOGZEZCTPLUKAL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N/c1-6-8(4)9(10-5)7(2)3/h7-8H,6H2,1-5H3/b10-9+.
What are the key properties of N,2,4-trimethylhexan-3-imine?
N,2,4-trimethylhexan-3-imine has a molecular weight of 141.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethylhexan-3-imine is sourced from PubChem (CID 535830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).