1-methoxy-N-propylhex-5-en-3-amine

C10H21NO — CID 61412205

IUPAC1-methoxy-N-propylhex-5-en-3-amine
SMILESC=CCC(CCOC)NCCC
InChIInChI=1S/C10H21NO/c1-4-6-10(7-9-12-3)11-8-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyYNIYKBHKPRAEQJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds8

About 1-methoxy-N-propylhex-5-en-3-amine

1-methoxy-N-propylhex-5-en-3-amine (PubChem CID 61412205) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methoxy-N-propylhex-5-en-3-amine.

Molecular Properties

Compound Name1-methoxy-N-propylhex-5-en-3-amine
PubChem CID61412205
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methoxy-N-propylhex-5-en-3-amine
SMILESC=CCC(CCOC)NCCC
InChIInChI=1S/C10H21NO/c1-4-6-10(7-9-12-3)11-8-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyYNIYKBHKPRAEQJ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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 1-methoxy-N-propylhex-5-en-3-amine?
The IUPAC name of 1-methoxy-N-propylhex-5-en-3-amine (CID 61412205) is 1-methoxy-N-propylhex-5-en-3-amine.
What is the SMILES notation for 1-methoxy-N-propylhex-5-en-3-amine?
The canonical SMILES for 1-methoxy-N-propylhex-5-en-3-amine is C=CCC(CCOC)NCCC.
What is the InChIKey of 1-methoxy-N-propylhex-5-en-3-amine?
The InChIKey is YNIYKBHKPRAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(7-9-12-3)11-8-5-2/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 1-methoxy-N-propylhex-5-en-3-amine?
1-methoxy-N-propylhex-5-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propylhex-5-en-3-amine is sourced from PubChem (CID 61412205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).