3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine

C12H25NO — CID 89197345

IUPAC3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine
SMILESCC(C)C/C=C\CC(C)OCCCN
InChIInChI=1S/C12H25NO/c1-11(2)7-4-5-8-12(3)14-10-6-9-13/h4-5,11-12H,6-10,13H2,1-3H3/b5-4-
InChIKeyBHELQSVDJGRILD-PLNGDYQASA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds8

About 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine

3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine (PubChem CID 89197345) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine
PubChem CID89197345
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine
SMILESCC(C)C/C=C\CC(C)OCCCN
InChIInChI=1S/C12H25NO/c1-11(2)7-4-5-8-12(3)14-10-6-9-13/h4-5,11-12H,6-10,13H2,1-3H3/b5-4-
InChIKeyBHELQSVDJGRILD-PLNGDYQASA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine?
The IUPAC name of 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine (CID 89197345) is 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine?
The canonical SMILES for 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine is CC(C)C/C=C\CC(C)OCCCN.
What is the InChIKey of 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine?
The InChIKey is BHELQSVDJGRILD-PLNGDYQASA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)7-4-5-8-12(3)14-10-6-9-13/h4-5,11-12H,6-10,13H2,1-3H3/b5-4-.
What are the key properties of 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine?
3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine is sourced from PubChem (CID 89197345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).