5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine

C13H27NO — CID 116758190

IUPAC5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(NCCC)C(C)(CC)OC
InChIInChI=1S/C13H27NO/c1-7-9-14-12(10-11(3)4)13(5,8-2)15-6/h12,14H,3,7-10H2,1-2,4-6H3
InChIKeyMLQOBTCSCDZZAF-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds8

About 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine

5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine (PubChem CID 116758190) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
PubChem CID116758190
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(NCCC)C(C)(CC)OC
InChIInChI=1S/C13H27NO/c1-7-9-14-12(10-11(3)4)13(5,8-2)15-6/h12,14H,3,7-10H2,1-2,4-6H3
InChIKeyMLQOBTCSCDZZAF-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
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-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine?
The IUPAC name of 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine (CID 116758190) is 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine.
What is the SMILES notation for 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine?
The canonical SMILES for 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine is C=C(C)CC(NCCC)C(C)(CC)OC.
What is the InChIKey of 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine?
The InChIKey is MLQOBTCSCDZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-9-14-12(10-11(3)4)13(5,8-2)15-6/h12,14H,3,7-10H2,1-2,4-6H3.
What are the key properties of 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine?
5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,5-dimethyl-N-propylhept-1-en-4-amine is sourced from PubChem (CID 116758190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).