4-(methoxymethyl)pent-4-en-1-amine

C7H15NO — CID 103392180

IUPAC4-(methoxymethyl)pent-4-en-1-amine
SMILESC=C(CCCN)COC
InChIInChI=1S/C7H15NO/c1-7(6-9-2)4-3-5-8/h1,3-6,8H2,2H3
InChIKeyZVHUJVPFJGWDSR-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds5

About 4-(methoxymethyl)pent-4-en-1-amine

4-(methoxymethyl)pent-4-en-1-amine (PubChem CID 103392180) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-(methoxymethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)pent-4-en-1-amine
PubChem CID103392180
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-(methoxymethyl)pent-4-en-1-amine
SMILESC=C(CCCN)COC
InChIInChI=1S/C7H15NO/c1-7(6-9-2)4-3-5-8/h1,3-6,8H2,2H3
InChIKeyZVHUJVPFJGWDSR-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-3-methylidenebutan-1-amine
CID 58059983
5-(2-Methylprop-2-enoxy)pentan-1-amine
CID 82352892
4-(Methoxymethyl)hex-4-en-1-amine
CID 103392067
(Z)-4-(methoxymethyl)non-4-en-1-amine
CID 103392070
(Z)-4-(methoxymethyl)oct-4-en-1-amine
CID 103392097
(Z)-4-(methoxymethyl)hept-4-en-1-amine
CID 103392129
4-(Methoxymethyl)-7-methylocta-4,7-dien-1-amine
CID 103392211
5-Methoxy-2-methylidenepentan-1-amine
CID 117266250
5-Methoxy-3-methylidenepentan-1-amine
CID 117268189
(Z)-4-(methoxymethyl)hex-4-en-1-amine
CID 133616993

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)pent-4-en-1-amine?
The IUPAC name of 4-(methoxymethyl)pent-4-en-1-amine (CID 103392180) is 4-(methoxymethyl)pent-4-en-1-amine.
What is the SMILES notation for 4-(methoxymethyl)pent-4-en-1-amine?
The canonical SMILES for 4-(methoxymethyl)pent-4-en-1-amine is C=C(CCCN)COC.
What is the InChIKey of 4-(methoxymethyl)pent-4-en-1-amine?
The InChIKey is ZVHUJVPFJGWDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(6-9-2)4-3-5-8/h1,3-6,8H2,2H3.
What are the key properties of 4-(methoxymethyl)pent-4-en-1-amine?
4-(methoxymethyl)pent-4-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)pent-4-en-1-amine is sourced from PubChem (CID 103392180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).