N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine

C15H21NO — CID 156873007

IUPACN-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine
SMILESC=C/C=N/C(=C(C)C)/C(=C\C(=C)C)OC1CC1
InChIInChI=1S/C15H21NO/c1-6-9-16-15(12(4)5)14(10-11(2)3)17-13-7-8-13/h6,9-10,13H,1-2,7-8H2,3-5H3/b14-10+,16-9+
InChIKeyUZHWVGYLSLSHDF-KWHSPZGRSA-N
MW231.34 g/mol
LogP4.18
Rot. Bonds6

About N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine

N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine (PubChem CID 156873007) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine
PubChem CID156873007
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine
SMILESC=C/C=N/C(=C(C)C)/C(=C\C(=C)C)OC1CC1
InChIInChI=1S/C15H21NO/c1-6-9-16-15(12(4)5)14(10-11(2)3)17-13-7-8-13/h6,9-10,13H,1-2,7-8H2,3-5H3/b14-10+,16-9+
InChIKeyUZHWVGYLSLSHDF-KWHSPZGRSA-N
XLogP4.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine?
The IUPAC name of N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine (CID 156873007) is N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine.
What is the SMILES notation for N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine?
The canonical SMILES for N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine is C=C/C=N/C(=C(C)C)/C(=C\C(=C)C)OC1CC1.
What is the InChIKey of N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine?
The InChIKey is UZHWVGYLSLSHDF-KWHSPZGRSA-N. The full InChI is InChI=1S/C15H21NO/c1-6-9-16-15(12(4)5)14(10-11(2)3)17-13-7-8-13/h6,9-10,13H,1-2,7-8H2,3-5H3/b14-10+,16-9+.
What are the key properties of N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine?
N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine has a molecular weight of 231.34 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine is sourced from PubChem (CID 156873007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).