(2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine

C17H27N — CID 170381400

IUPAC(2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine
SMILESC=C/C=C(/C)C(/C(C)=C(\C=N\C)C(=C)C)C(C)C
InChIInChI=1S/C17H27N/c1-9-10-14(6)17(13(4)5)15(7)16(11-18-8)12(2)3/h9-11,13,17H,1-2H2,3-8H3/b14-10-,16-15+,18-11+
InChIKeyHSSZODSXHHFKGV-QUISJIHJSA-N
MW245.41 g/mol
LogP4.98
Rot. Bonds6

About (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine

(2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine (PubChem CID 170381400) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine.

Molecular Properties

Compound Name(2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine
PubChem CID170381400
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine
SMILESC=C/C=C(/C)C(/C(C)=C(\C=N\C)C(=C)C)C(C)C
InChIInChI=1S/C17H27N/c1-9-10-14(6)17(13(4)5)15(7)16(11-18-8)12(2)3/h9-11,13,17H,1-2H2,3-8H3/b14-10-,16-15+,18-11+
InChIKeyHSSZODSXHHFKGV-QUISJIHJSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.98
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 (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine?
The IUPAC name of (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine (CID 170381400) is (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine.
What is the SMILES notation for (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine?
The canonical SMILES for (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine is C=C/C=C(/C)C(/C(C)=C(\C=N\C)C(=C)C)C(C)C.
What is the InChIKey of (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine?
The InChIKey is HSSZODSXHHFKGV-QUISJIHJSA-N. The full InChI is InChI=1S/C17H27N/c1-9-10-14(6)17(13(4)5)15(7)16(11-18-8)12(2)3/h9-11,13,17H,1-2H2,3-8H3/b14-10-,16-15+,18-11+.
What are the key properties of (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine?
(2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine has a molecular weight of 245.41 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine is sourced from PubChem (CID 170381400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).