1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine

C16H29N — CID 156525632

IUPAC1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine
SMILESCC/C(C)=C(/C(C)C)[C@@H]1CCCCC1/C=N/C
InChIInChI=1S/C16H29N/c1-6-13(4)16(12(2)3)15-10-8-7-9-14(15)11-17-5/h11-12,14-15H,6-10H2,1-5H3/b16-13-,17-11+/t14?,15-/m1/s1
InChIKeyXONAMNSRQYXBQW-ZRAOJHSKSA-N
MW235.41 g/mol
LogP4.88
Rot. Bonds4

About 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine

1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine (PubChem CID 156525632) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine
PubChem CID156525632
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine
SMILESCC/C(C)=C(/C(C)C)[C@@H]1CCCCC1/C=N/C
InChIInChI=1S/C16H29N/c1-6-13(4)16(12(2)3)15-10-8-7-9-14(15)11-17-5/h11-12,14-15H,6-10H2,1-5H3/b16-13-,17-11+/t14?,15-/m1/s1
InChIKeyXONAMNSRQYXBQW-ZRAOJHSKSA-N
XLogP4.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.88
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 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine?
The IUPAC name of 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine (CID 156525632) is 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine.
What is the SMILES notation for 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine?
The canonical SMILES for 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine is CC/C(C)=C(/C(C)C)[C@@H]1CCCCC1/C=N/C.
What is the InChIKey of 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine?
The InChIKey is XONAMNSRQYXBQW-ZRAOJHSKSA-N. The full InChI is InChI=1S/C16H29N/c1-6-13(4)16(12(2)3)15-10-8-7-9-14(15)11-17-5/h11-12,14-15H,6-10H2,1-5H3/b16-13-,17-11+/t14?,15-/m1/s1.
What are the key properties of 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine?
1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine has a molecular weight of 235.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(Z)-2,4-dimethylhex-3-en-3-yl]cyclohexyl]-N-methylmethanimine is sourced from PubChem (CID 156525632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).