N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine

C14H22FN — CID 176956939

IUPACN-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/CC1CC1)C(C)C)C(C)F
InChIInChI=1S/C14H22FN/c1-10(2)13(9-12-5-6-12)7-8-14(16-4)11(3)15/h7-8,10-12H,4-6,9H2,1-3H3/b13-7+,14-8-
InChIKeyJOSQRXCQCKUVNP-GUZOQHLSSA-N
MW223.33 g/mol
LogP4.31
Rot. Bonds6

About N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine

N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine (PubChem CID 176956939) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine
PubChem CID176956939
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/CC1CC1)C(C)C)C(C)F
InChIInChI=1S/C14H22FN/c1-10(2)13(9-12-5-6-12)7-8-14(16-4)11(3)15/h7-8,10-12H,4-6,9H2,1-3H3/b13-7+,14-8-
InChIKeyJOSQRXCQCKUVNP-GUZOQHLSSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.31
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 N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine (CID 176956939) is N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C(/CC1CC1)C(C)C)C(C)F.
What is the InChIKey of N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine?
The InChIKey is JOSQRXCQCKUVNP-GUZOQHLSSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)13(9-12-5-6-12)7-8-14(16-4)11(3)15/h7-8,10-12H,4-6,9H2,1-3H3/b13-7+,14-8-.
What are the key properties of N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine?
N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine has a molecular weight of 223.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-6-(cyclopropylmethyl)-2-fluoro-7-methylocta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 176956939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).