5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine

C12H23NO — CID 56622641

IUPAC5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine
SMILESCOCC(N)C=CC(C(C)C)C1CC1
InChIInChI=1S/C12H23NO/c1-9(2)12(10-4-5-10)7-6-11(13)8-14-3/h6-7,9-12H,4-5,8,13H2,1-3H3
InChIKeyZQFYVJJIJMGBDO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.20
Rot. Bonds6

About 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine

5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine (PubChem CID 56622641) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine
PubChem CID56622641
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine
SMILESCOCC(N)C=CC(C(C)C)C1CC1
InChIInChI=1S/C12H23NO/c1-9(2)12(10-4-5-10)7-6-11(13)8-14-3/h6-7,9-12H,4-5,8,13H2,1-3H3
InChIKeyZQFYVJJIJMGBDO-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine?
The IUPAC name of 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine (CID 56622641) is 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine.
What is the SMILES notation for 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine?
The canonical SMILES for 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine is COCC(N)C=CC(C(C)C)C1CC1.
What is the InChIKey of 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine?
The InChIKey is ZQFYVJJIJMGBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)12(10-4-5-10)7-6-11(13)8-14-3/h6-7,9-12H,4-5,8,13H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine?
5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methoxy-6-methylhept-3-en-2-amine is sourced from PubChem (CID 56622641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).