4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

C13H25N — CID 103522615

IUPAC4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCCC1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C13H25N/c1-4-12-5-7-13(8-6-12)14-10-9-11(2)3/h9,12-14H,4-8,10H2,1-3H3
InChIKeyBSQVDSHUMRNEEZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds4

About 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 103522615) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID103522615
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCCC1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C13H25N/c1-4-12-5-7-13(8-6-12)14-10-9-11(2)3/h9,12-14H,4-8,10H2,1-3H3
InChIKeyBSQVDSHUMRNEEZ-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
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 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 103522615) is 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is CCC1CCC(NCC=C(C)C)CC1.
What is the InChIKey of 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is BSQVDSHUMRNEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-12-5-7-13(8-6-12)14-10-9-11(2)3/h9,12-14H,4-8,10H2,1-3H3.
What are the key properties of 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 103522615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).