(4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine

C12H21N — CID 126636706

IUPAC(4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine
SMILESC/C=C(\C=C/C(CC)=N/C)C(C)C
InChIInChI=1S/C12H21N/c1-6-11(10(3)4)8-9-12(7-2)13-5/h6,8-10H,7H2,1-5H3/b9-8-,11-6+,13-12+
InChIKeyOALHYCDZPOSJLH-DZDRBRJISA-N
MW179.31 g/mol
LogP3.63
Rot. Bonds4

About (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine

(4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine (PubChem CID 126636706) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine
PubChem CID126636706
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine
SMILESC/C=C(\C=C/C(CC)=N/C)C(C)C
InChIInChI=1S/C12H21N/c1-6-11(10(3)4)8-9-12(7-2)13-5/h6,8-10H,7H2,1-5H3/b9-8-,11-6+,13-12+
InChIKeyOALHYCDZPOSJLH-DZDRBRJISA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine?
The IUPAC name of (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine (CID 126636706) is (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine.
What is the SMILES notation for (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine?
The canonical SMILES for (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine is C/C=C(\C=C/C(CC)=N/C)C(C)C.
What is the InChIKey of (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine?
The InChIKey is OALHYCDZPOSJLH-DZDRBRJISA-N. The full InChI is InChI=1S/C12H21N/c1-6-11(10(3)4)8-9-12(7-2)13-5/h6,8-10H,7H2,1-5H3/b9-8-,11-6+,13-12+.
What are the key properties of (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine?
(4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine has a molecular weight of 179.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-methyl-6-propan-2-ylocta-4,6-dien-3-imine is sourced from PubChem (CID 126636706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).