4-methoxy-2-propylpent-4-en-1-amine

C9H19NO — CID 143347785

IUPAC4-methoxy-2-propylpent-4-en-1-amine
SMILESC=C(CC(CN)CCC)OC
InChIInChI=1S/C9H19NO/c1-4-5-9(7-10)6-8(2)11-3/h9H,2,4-7,10H2,1,3H3
InChIKeyGJCPVZFCONQBKM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.91
Rot. Bonds6

About 4-methoxy-2-propylpent-4-en-1-amine

4-methoxy-2-propylpent-4-en-1-amine (PubChem CID 143347785) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methoxy-2-propylpent-4-en-1-amine.

Molecular Properties

Compound Name4-methoxy-2-propylpent-4-en-1-amine
PubChem CID143347785
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methoxy-2-propylpent-4-en-1-amine
SMILESC=C(CC(CN)CCC)OC
InChIInChI=1S/C9H19NO/c1-4-5-9(7-10)6-8(2)11-3/h9H,2,4-7,10H2,1,3H3
InChIKeyGJCPVZFCONQBKM-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxyhept-6-en-1-amine
CID 88271141
(3S)-6-methoxy-3-propylhept-6-en-1-amine
CID 88673571
(3R)-3-(2-methoxyprop-2-enyl)piperidine
CID 90065330
1-Methoxy-2,5-dimethylhex-5-en-1-amine
CID 123303711
4-(Aminomethyl)-3-methylhept-1-en-2-ol
CID 132198382

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propylpent-4-en-1-amine?
The IUPAC name of 4-methoxy-2-propylpent-4-en-1-amine (CID 143347785) is 4-methoxy-2-propylpent-4-en-1-amine.
What is the SMILES notation for 4-methoxy-2-propylpent-4-en-1-amine?
The canonical SMILES for 4-methoxy-2-propylpent-4-en-1-amine is C=C(CC(CN)CCC)OC.
What is the InChIKey of 4-methoxy-2-propylpent-4-en-1-amine?
The InChIKey is GJCPVZFCONQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-9(7-10)6-8(2)11-3/h9H,2,4-7,10H2,1,3H3.
What are the key properties of 4-methoxy-2-propylpent-4-en-1-amine?
4-methoxy-2-propylpent-4-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propylpent-4-en-1-amine is sourced from PubChem (CID 143347785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).