(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine

C10H19N — CID 87981822

IUPAC(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
SMILESC/C=C(\C=N\C)CC(C)CC
InChIInChI=1S/C10H19N/c1-5-9(3)7-10(6-2)8-11-4/h6,8-9H,5,7H2,1-4H3/b10-6-,11-8+
InChIKeyXOILPKJABHAKQD-YANFREPOSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds4

About (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine

(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine (PubChem CID 87981822) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
PubChem CID87981822
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
SMILESC/C=C(\C=N\C)CC(C)CC
InChIInChI=1S/C10H19N/c1-5-9(3)7-10(6-2)8-11-4/h6,8-9H,5,7H2,1-4H3/b10-6-,11-8+
InChIKeyXOILPKJABHAKQD-YANFREPOSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
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 (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine?
The IUPAC name of (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine (CID 87981822) is (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine.
What is the SMILES notation for (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine?
The canonical SMILES for (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine is C/C=C(\C=N\C)CC(C)CC.
What is the InChIKey of (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine?
The InChIKey is XOILPKJABHAKQD-YANFREPOSA-N. The full InChI is InChI=1S/C10H19N/c1-5-9(3)7-10(6-2)8-11-4/h6,8-9H,5,7H2,1-4H3/b10-6-,11-8+.
What are the key properties of (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine?
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-N,4-dimethylhexan-1-imine is sourced from PubChem (CID 87981822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).