(2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine

C15H29NO — CID 79339671

IUPAC(2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine
SMILESCC/C(=C/C1CCCC(C)C1)CNCCOC
InChIInChI=1S/C15H29NO/c1-4-14(12-16-8-9-17-3)11-15-7-5-6-13(2)10-15/h11,13,15-16H,4-10,12H2,1-3H3/b14-11-
InChIKeyVNDRIRXGOFVWBF-KAMYIIQDSA-N
MW239.40 g/mol
LogP3.39
Rot. Bonds7

About (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine

(2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine (PubChem CID 79339671) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine
PubChem CID79339671
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine
SMILESCC/C(=C/C1CCCC(C)C1)CNCCOC
InChIInChI=1S/C15H29NO/c1-4-14(12-16-8-9-17-3)11-15-7-5-6-13(2)10-15/h11,13,15-16H,4-10,12H2,1-3H3/b14-11-
InChIKeyVNDRIRXGOFVWBF-KAMYIIQDSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine?
The IUPAC name of (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine (CID 79339671) is (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine.
What is the SMILES notation for (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine?
The canonical SMILES for (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine is CC/C(=C/C1CCCC(C)C1)CNCCOC.
What is the InChIKey of (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine?
The InChIKey is VNDRIRXGOFVWBF-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-14(12-16-8-9-17-3)11-15-7-5-6-13(2)10-15/h11,13,15-16H,4-10,12H2,1-3H3/b14-11-.
What are the key properties of (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine?
(2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-methoxyethyl)-2-[(3-methylcyclohexyl)methylidene]butan-1-amine is sourced from PubChem (CID 79339671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).