4-(methoxymethyl)-5-methylhex-4-en-1-amine

C9H19NO — CID 103392156

IUPAC4-(methoxymethyl)-5-methylhex-4-en-1-amine
SMILESCOCC(CCCN)=C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)9(7-11-3)5-4-6-10/h4-7,10H2,1-3H3
InChIKeySHBMREVWHQMZBO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds5

About 4-(methoxymethyl)-5-methylhex-4-en-1-amine

4-(methoxymethyl)-5-methylhex-4-en-1-amine (PubChem CID 103392156) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methylhex-4-en-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methylhex-4-en-1-amine
PubChem CID103392156
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(methoxymethyl)-5-methylhex-4-en-1-amine
SMILESCOCC(CCCN)=C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)9(7-11-3)5-4-6-10/h4-7,10H2,1-3H3
InChIKeySHBMREVWHQMZBO-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
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

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
4-Cycloheptylidene-5-methoxypentan-1-amine
CID 103392066
4-(Methoxymethyl)hex-4-en-1-amine
CID 103392067
4-(Methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(Z)-4-(methoxymethyl)dec-4-en-1-amine
CID 103392069
(Z)-4-(methoxymethyl)non-4-en-1-amine
CID 103392070
(Z)-4-(methoxymethyl)dodec-4-en-1-amine
CID 103392071
(Z)-4-(methoxymethyl)-6-methylideneoct-4-en-1-amine
CID 103392077
(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine
CID 103392092

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methylhex-4-en-1-amine?
The IUPAC name of 4-(methoxymethyl)-5-methylhex-4-en-1-amine (CID 103392156) is 4-(methoxymethyl)-5-methylhex-4-en-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-5-methylhex-4-en-1-amine?
The canonical SMILES for 4-(methoxymethyl)-5-methylhex-4-en-1-amine is COCC(CCCN)=C(C)C.
What is the InChIKey of 4-(methoxymethyl)-5-methylhex-4-en-1-amine?
The InChIKey is SHBMREVWHQMZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)9(7-11-3)5-4-6-10/h4-7,10H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-5-methylhex-4-en-1-amine?
4-(methoxymethyl)-5-methylhex-4-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-methylhex-4-en-1-amine is sourced from PubChem (CID 103392156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).