4-methylideneoct-7-en-1-amine

C9H17N — CID 10606816

IUPAC4-methylideneoct-7-en-1-amine
SMILESC=CCCC(=C)CCCN
InChIInChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10/h3H,1-2,4-8,10H2
InChIKeyNMDNPUATFYMJPX-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds6

About 4-methylideneoct-7-en-1-amine

4-methylideneoct-7-en-1-amine (PubChem CID 10606816) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-methylideneoct-7-en-1-amine.

Molecular Properties

Compound Name4-methylideneoct-7-en-1-amine
PubChem CID10606816
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-methylideneoct-7-en-1-amine
SMILESC=CCCC(=C)CCCN
InChIInChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10/h3H,1-2,4-8,10H2
InChIKeyNMDNPUATFYMJPX-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
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-methylideneoct-7-en-1-amine?
The IUPAC name of 4-methylideneoct-7-en-1-amine (CID 10606816) is 4-methylideneoct-7-en-1-amine.
What is the SMILES notation for 4-methylideneoct-7-en-1-amine?
The canonical SMILES for 4-methylideneoct-7-en-1-amine is C=CCCC(=C)CCCN.
What is the InChIKey of 4-methylideneoct-7-en-1-amine?
The InChIKey is NMDNPUATFYMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10/h3H,1-2,4-8,10H2.
What are the key properties of 4-methylideneoct-7-en-1-amine?
4-methylideneoct-7-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneoct-7-en-1-amine is sourced from PubChem (CID 10606816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).