(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine

C15H29N — CID 79328767

IUPAC(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC/C(=C\C1CCC(C)CC1)CNC(C)C
InChIInChI=1S/C15H29N/c1-5-14(11-16-12(2)3)10-15-8-6-13(4)7-9-15/h10,12-13,15-16H,5-9,11H2,1-4H3/b14-10+
InChIKeyVXSKNNDIPXFIBZ-GXDHUFHOSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds5

About (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine

(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 79328767) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID79328767
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC/C(=C\C1CCC(C)CC1)CNC(C)C
InChIInChI=1S/C15H29N/c1-5-14(11-16-12(2)3)10-15-8-6-13(4)7-9-15/h10,12-13,15-16H,5-9,11H2,1-4H3/b14-10+
InChIKeyVXSKNNDIPXFIBZ-GXDHUFHOSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine (CID 79328767) is (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine is CC/C(=C\C1CCC(C)CC1)CNC(C)C.
What is the InChIKey of (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is VXSKNNDIPXFIBZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H29N/c1-5-14(11-16-12(2)3)10-15-8-6-13(4)7-9-15/h10,12-13,15-16H,5-9,11H2,1-4H3/b14-10+.
What are the key properties of (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79328767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).