(6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine

C16H23N — CID 145459440

IUPAC(6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine
SMILESC=CC[C@@](C)(CC)C1=CC(=N\C)/C(=C\C)C=C1
InChIInChI=1S/C16H23N/c1-6-11-16(4,8-3)14-10-9-13(7-2)15(12-14)17-5/h6-7,9-10,12H,1,8,11H2,2-5H3/b13-7-,17-15+/t16-/m1/s1
InChIKeyHIMIURJNLHGPAA-NZJYTSTLSA-N
MW229.37 g/mol
LogP4.49
Rot. Bonds4

About (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine

(6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine (PubChem CID 145459440) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine
PubChem CID145459440
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine
SMILESC=CC[C@@](C)(CC)C1=CC(=N\C)/C(=C\C)C=C1
InChIInChI=1S/C16H23N/c1-6-11-16(4,8-3)14-10-9-13(7-2)15(12-14)17-5/h6-7,9-10,12H,1,8,11H2,2-5H3/b13-7-,17-15+/t16-/m1/s1
InChIKeyHIMIURJNLHGPAA-NZJYTSTLSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine (CID 145459440) is (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine is C=CC[C@@](C)(CC)C1=CC(=N\C)/C(=C\C)C=C1.
What is the InChIKey of (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine?
The InChIKey is HIMIURJNLHGPAA-NZJYTSTLSA-N. The full InChI is InChI=1S/C16H23N/c1-6-11-16(4,8-3)14-10-9-13(7-2)15(12-14)17-5/h6-7,9-10,12H,1,8,11H2,2-5H3/b13-7-,17-15+/t16-/m1/s1.
What are the key properties of (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine?
(6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 145459440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).