6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine

C12H23NO — CID 89153993

IUPAC6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine
SMILESC=CCC(N)C(C)C(C)OCC1CC1
InChIInChI=1S/C12H23NO/c1-4-5-12(13)9(2)10(3)14-8-11-6-7-11/h4,9-12H,1,5-8,13H2,2-3H3
InChIKeyAVZUGTXYANNYJQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine

6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine (PubChem CID 89153993) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine
PubChem CID89153993
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine
SMILESC=CCC(N)C(C)C(C)OCC1CC1
InChIInChI=1S/C12H23NO/c1-4-5-12(13)9(2)10(3)14-8-11-6-7-11/h4,9-12H,1,5-8,13H2,2-3H3
InChIKeyAVZUGTXYANNYJQ-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
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 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine (CID 89153993) is 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine is C=CCC(N)C(C)C(C)OCC1CC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine?
The InChIKey is AVZUGTXYANNYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-12(13)9(2)10(3)14-8-11-6-7-11/h4,9-12H,1,5-8,13H2,2-3H3.
What are the key properties of 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine?
6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-methylhept-1-en-4-amine is sourced from PubChem (CID 89153993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).