(4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine

C12H21N — CID 139423274

IUPAC(4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine
SMILESC=CC(/C=C\C)=N\C(C)CCCC
InChIInChI=1S/C12H21N/c1-5-8-10-11(4)13-12(7-3)9-6-2/h6-7,9,11H,3,5,8,10H2,1-2,4H3/b9-6-,13-12+
InChIKeyLPYNAKMRXVWCGZ-NEBWXRHNSA-N
MW179.31 g/mol
LogP3.77
Rot. Bonds6

About (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine

(4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine (PubChem CID 139423274) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine
PubChem CID139423274
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine
SMILESC=CC(/C=C\C)=N\C(C)CCCC
InChIInChI=1S/C12H21N/c1-5-8-10-11(4)13-12(7-3)9-6-2/h6-7,9,11H,3,5,8,10H2,1-2,4H3/b9-6-,13-12+
InChIKeyLPYNAKMRXVWCGZ-NEBWXRHNSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.77
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 (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine?
The IUPAC name of (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine (CID 139423274) is (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine?
The canonical SMILES for (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine is C=CC(/C=C\C)=N\C(C)CCCC.
What is the InChIKey of (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine?
The InChIKey is LPYNAKMRXVWCGZ-NEBWXRHNSA-N. The full InChI is InChI=1S/C12H21N/c1-5-8-10-11(4)13-12(7-3)9-6-2/h6-7,9,11H,3,5,8,10H2,1-2,4H3/b9-6-,13-12+.
What are the key properties of (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine?
(4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine has a molecular weight of 179.31 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine is sourced from PubChem (CID 139423274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).