(Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine

C13H25N — CID 134442295

IUPAC(Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine
SMILESCC/C=C(C(=N\C)\C(C)CC)/C(C)C
InChIInChI=1S/C13H25N/c1-7-9-12(10(3)4)13(14-6)11(5)8-2/h9-11H,7-8H2,1-6H3/b12-9-,14-13+
InChIKeyNLJAZJHMVPQUKD-FCCMOTEVSA-N
MW195.35 g/mol
LogP4.10
Rot. Bonds5

About (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine

(Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine (PubChem CID 134442295) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine
PubChem CID134442295
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine
SMILESCC/C=C(C(=N\C)\C(C)CC)/C(C)C
InChIInChI=1S/C13H25N/c1-7-9-12(10(3)4)13(14-6)11(5)8-2/h9-11H,7-8H2,1-6H3/b12-9-,14-13+
InChIKeyNLJAZJHMVPQUKD-FCCMOTEVSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.10
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 (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine?
The IUPAC name of (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine (CID 134442295) is (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine.
What is the SMILES notation for (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine?
The canonical SMILES for (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine is CC/C=C(C(=N\C)\C(C)CC)/C(C)C.
What is the InChIKey of (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine?
The InChIKey is NLJAZJHMVPQUKD-FCCMOTEVSA-N. The full InChI is InChI=1S/C13H25N/c1-7-9-12(10(3)4)13(14-6)11(5)8-2/h9-11H,7-8H2,1-6H3/b12-9-,14-13+.
What are the key properties of (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine?
(Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine has a molecular weight of 195.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-5-propan-2-yloct-5-en-4-imine is sourced from PubChem (CID 134442295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).