6-methyl-5-methylidene-N-pentylhept-1-en-2-amine

C14H27N — CID 130399723

IUPAC6-methyl-5-methylidene-N-pentylhept-1-en-2-amine
SMILESC=C(CCC(=C)C(C)C)NCCCCC
InChIInChI=1S/C14H27N/c1-6-7-8-11-15-14(5)10-9-13(4)12(2)3/h12,15H,4-11H2,1-3H3
InChIKeyXDIOATPAWDAHID-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.27
Rot. Bonds9

About 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine

6-methyl-5-methylidene-N-pentylhept-1-en-2-amine (PubChem CID 130399723) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine.

Molecular Properties

Compound Name6-methyl-5-methylidene-N-pentylhept-1-en-2-amine
PubChem CID130399723
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name6-methyl-5-methylidene-N-pentylhept-1-en-2-amine
SMILESC=C(CCC(=C)C(C)C)NCCCCC
InChIInChI=1S/C14H27N/c1-6-7-8-11-15-14(5)10-9-13(4)12(2)3/h12,15H,4-11H2,1-3H3
InChIKeyXDIOATPAWDAHID-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.27
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 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine?
The IUPAC name of 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine (CID 130399723) is 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine.
What is the SMILES notation for 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine?
The canonical SMILES for 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine is C=C(CCC(=C)C(C)C)NCCCCC.
What is the InChIKey of 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine?
The InChIKey is XDIOATPAWDAHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-7-8-11-15-14(5)10-9-13(4)12(2)3/h12,15H,4-11H2,1-3H3.
What are the key properties of 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine?
6-methyl-5-methylidene-N-pentylhept-1-en-2-amine has a molecular weight of 209.38 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylidene-N-pentylhept-1-en-2-amine is sourced from PubChem (CID 130399723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).