3-(methoxymethyl)hex-5-en-2-amine

C8H17NO — CID 143335167

IUPAC3-(methoxymethyl)hex-5-en-2-amine
SMILESC=CCC(COC)C(C)N
InChIInChI=1S/C8H17NO/c1-4-5-8(6-10-3)7(2)9/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyCYSLVHZSHFGTTG-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.17
Rot. Bonds5

About 3-(methoxymethyl)hex-5-en-2-amine

3-(methoxymethyl)hex-5-en-2-amine (PubChem CID 143335167) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(methoxymethyl)hex-5-en-2-amine.

Molecular Properties

Compound Name3-(methoxymethyl)hex-5-en-2-amine
PubChem CID143335167
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(methoxymethyl)hex-5-en-2-amine
SMILESC=CCC(COC)C(C)N
InChIInChI=1S/C8H17NO/c1-4-5-8(6-10-3)7(2)9/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyCYSLVHZSHFGTTG-UHFFFAOYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.17
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

(3R)-1-hept-6-enoxy-4-methylpentan-3-amine
CID 87242821
1-(2-Prop-2-enylpent-4-enoxy)ethanamine
CID 87283413
1-Hept-6-enoxy-4-methylpentan-3-amine
CID 123872109
(2R)-3-ethenylhexan-2-amine;methoxyethane
CID 143473258
(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine
CID 147936225
2-(Methoxymethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682420
(Z,2R,3R)-3-(methoxymethyl)hept-4-en-2-amine
CID 173829905
1-Methoxyhept-6-en-3-amine
CID 64297002
5-Methoxy-5-methylhex-1-en-3-amine
CID 103028038
7-Methoxy-6-methylhept-1-en-4-amine
CID 105107949
1-Propoxyhex-5-en-3-amine
CID 105108141
1-Ethoxyhex-5-en-3-amine
CID 105108630

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)hex-5-en-2-amine?
The IUPAC name of 3-(methoxymethyl)hex-5-en-2-amine (CID 143335167) is 3-(methoxymethyl)hex-5-en-2-amine.
What is the SMILES notation for 3-(methoxymethyl)hex-5-en-2-amine?
The canonical SMILES for 3-(methoxymethyl)hex-5-en-2-amine is C=CCC(COC)C(C)N.
What is the InChIKey of 3-(methoxymethyl)hex-5-en-2-amine?
The InChIKey is CYSLVHZSHFGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-8(6-10-3)7(2)9/h4,7-8H,1,5-6,9H2,2-3H3.
What are the key properties of 3-(methoxymethyl)hex-5-en-2-amine?
3-(methoxymethyl)hex-5-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)hex-5-en-2-amine is sourced from PubChem (CID 143335167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).