3-methoxy-N-propylhex-2-en-1-amine

C10H21NO — CID 123554234

IUPAC3-methoxy-N-propylhex-2-en-1-amine
SMILESCCCNCC=C(CCC)OC
InChIInChI=1S/C10H21NO/c1-4-6-10(12-3)7-9-11-8-5-2/h7,11H,4-6,8-9H2,1-3H3
InChIKeyGTKYIVJMUZMCKA-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds7

About 3-methoxy-N-propylhex-2-en-1-amine

3-methoxy-N-propylhex-2-en-1-amine (PubChem CID 123554234) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methoxy-N-propylhex-2-en-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propylhex-2-en-1-amine
PubChem CID123554234
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methoxy-N-propylhex-2-en-1-amine
SMILESCCCNCC=C(CCC)OC
InChIInChI=1S/C10H21NO/c1-4-6-10(12-3)7-9-11-8-5-2/h7,11H,4-6,8-9H2,1-3H3
InChIKeyGTKYIVJMUZMCKA-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propylhex-2-en-1-amine?
The IUPAC name of 3-methoxy-N-propylhex-2-en-1-amine (CID 123554234) is 3-methoxy-N-propylhex-2-en-1-amine.
What is the SMILES notation for 3-methoxy-N-propylhex-2-en-1-amine?
The canonical SMILES for 3-methoxy-N-propylhex-2-en-1-amine is CCCNCC=C(CCC)OC.
What is the InChIKey of 3-methoxy-N-propylhex-2-en-1-amine?
The InChIKey is GTKYIVJMUZMCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(12-3)7-9-11-8-5-2/h7,11H,4-6,8-9H2,1-3H3.
What are the key properties of 3-methoxy-N-propylhex-2-en-1-amine?
3-methoxy-N-propylhex-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propylhex-2-en-1-amine is sourced from PubChem (CID 123554234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).