(E)-10-methylundec-5-en-1-amine

C12H25N — CID 170848439

IUPAC(E)-10-methylundec-5-en-1-amine
SMILESCC(C)CCC/C=C/CCCCN
InChIInChI=1S/C12H25N/c1-12(2)10-8-6-4-3-5-7-9-11-13/h3-4,12H,5-11,13H2,1-2H3/b4-3+
InChIKeyANHVFVFGDBNEDW-ONEGZZNKSA-N
MW183.34 g/mol
LogP3.50
Rot. Bonds8

About (E)-10-methylundec-5-en-1-amine

(E)-10-methylundec-5-en-1-amine (PubChem CID 170848439) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-10-methylundec-5-en-1-amine.

Molecular Properties

Compound Name(E)-10-methylundec-5-en-1-amine
PubChem CID170848439
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-10-methylundec-5-en-1-amine
SMILESCC(C)CCC/C=C/CCCCN
InChIInChI=1S/C12H25N/c1-12(2)10-8-6-4-3-5-7-9-11-13/h3-4,12H,5-11,13H2,1-2H3/b4-3+
InChIKeyANHVFVFGDBNEDW-ONEGZZNKSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-10-methylundec-5-en-1-amine?
The IUPAC name of (E)-10-methylundec-5-en-1-amine (CID 170848439) is (E)-10-methylundec-5-en-1-amine.
What is the SMILES notation for (E)-10-methylundec-5-en-1-amine?
The canonical SMILES for (E)-10-methylundec-5-en-1-amine is CC(C)CCC/C=C/CCCCN.
What is the InChIKey of (E)-10-methylundec-5-en-1-amine?
The InChIKey is ANHVFVFGDBNEDW-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H25N/c1-12(2)10-8-6-4-3-5-7-9-11-13/h3-4,12H,5-11,13H2,1-2H3/b4-3+.
What are the key properties of (E)-10-methylundec-5-en-1-amine?
(E)-10-methylundec-5-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-methylundec-5-en-1-amine is sourced from PubChem (CID 170848439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).