6-methyloct-7-en-3-amine

C9H19N — CID 87112316

IUPAC6-methyloct-7-en-3-amine
SMILESC=CC(C)CCC(N)CC
InChIInChI=1S/C9H19N/c1-4-8(3)6-7-9(10)5-2/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyYESSJIZBHVKSPU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds5

About 6-methyloct-7-en-3-amine

6-methyloct-7-en-3-amine (PubChem CID 87112316) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 6-methyloct-7-en-3-amine.

Molecular Properties

Compound Name6-methyloct-7-en-3-amine
PubChem CID87112316
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name6-methyloct-7-en-3-amine
SMILESC=CC(C)CCC(N)CC
InChIInChI=1S/C9H19N/c1-4-8(3)6-7-9(10)5-2/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyYESSJIZBHVKSPU-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
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 6-methyloct-7-en-3-amine?
The IUPAC name of 6-methyloct-7-en-3-amine (CID 87112316) is 6-methyloct-7-en-3-amine.
What is the SMILES notation for 6-methyloct-7-en-3-amine?
The canonical SMILES for 6-methyloct-7-en-3-amine is C=CC(C)CCC(N)CC.
What is the InChIKey of 6-methyloct-7-en-3-amine?
The InChIKey is YESSJIZBHVKSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-8(3)6-7-9(10)5-2/h4,8-9H,1,5-7,10H2,2-3H3.
What are the key properties of 6-methyloct-7-en-3-amine?
6-methyloct-7-en-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloct-7-en-3-amine is sourced from PubChem (CID 87112316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).