4-ethyl-7-methyloct-1-en-4-amine

C11H23N — CID 134927152

IUPAC4-ethyl-7-methyloct-1-en-4-amine
SMILESC=CCC(N)(CC)CCC(C)C
InChIInChI=1S/C11H23N/c1-5-8-11(12,6-2)9-7-10(3)4/h5,10H,1,6-9,12H2,2-4H3
InChIKeyTUBLVIIILDJUHW-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.11
Rot. Bonds6

About 4-ethyl-7-methyloct-1-en-4-amine

4-ethyl-7-methyloct-1-en-4-amine (PubChem CID 134927152) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-ethyl-7-methyloct-1-en-4-amine.

Molecular Properties

Compound Name4-ethyl-7-methyloct-1-en-4-amine
PubChem CID134927152
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-ethyl-7-methyloct-1-en-4-amine
SMILESC=CCC(N)(CC)CCC(C)C
InChIInChI=1S/C11H23N/c1-5-8-11(12,6-2)9-7-10(3)4/h5,10H,1,6-9,12H2,2-4H3
InChIKeyTUBLVIIILDJUHW-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.11
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-7-methyloct-1-en-4-amine?
The IUPAC name of 4-ethyl-7-methyloct-1-en-4-amine (CID 134927152) is 4-ethyl-7-methyloct-1-en-4-amine.
What is the SMILES notation for 4-ethyl-7-methyloct-1-en-4-amine?
The canonical SMILES for 4-ethyl-7-methyloct-1-en-4-amine is C=CCC(N)(CC)CCC(C)C.
What is the InChIKey of 4-ethyl-7-methyloct-1-en-4-amine?
The InChIKey is TUBLVIIILDJUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-8-11(12,6-2)9-7-10(3)4/h5,10H,1,6-9,12H2,2-4H3.
What are the key properties of 4-ethyl-7-methyloct-1-en-4-amine?
4-ethyl-7-methyloct-1-en-4-amine has a molecular weight of 169.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyloct-1-en-4-amine is sourced from PubChem (CID 134927152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).