2-(methoxymethyl)-4-methylpent-1-en-3-amine

C8H17NO — CID 130921121

IUPAC2-(methoxymethyl)-4-methylpent-1-en-3-amine
SMILESC=C(COC)C(N)C(C)C
InChIInChI=1S/C8H17NO/c1-6(2)8(9)7(3)5-10-4/h6,8H,3,5,9H2,1-2,4H3
InChIKeyASKWOTYCYNZNLU-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.17
Rot. Bonds4

About 2-(methoxymethyl)-4-methylpent-1-en-3-amine

2-(methoxymethyl)-4-methylpent-1-en-3-amine (PubChem CID 130921121) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methylpent-1-en-3-amine
PubChem CID130921121
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(methoxymethyl)-4-methylpent-1-en-3-amine
SMILESC=C(COC)C(N)C(C)C
InChIInChI=1S/C8H17NO/c1-6(2)8(9)7(3)5-10-4/h6,8H,3,5,9H2,1-2,4H3
InChIKeyASKWOTYCYNZNLU-UHFFFAOYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 54872163
3-amino-1-methoxy-4-methylhexan-2-one
CID 116552707
1-methoxy-4,5,5-trimethylhexan-2-one
CID 115783352
methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
CID 166967471
[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (3-methyl-2-methylidenebutyl) carbonate
CID 15026489
1-methoxy-4-methylpentan-2-one
CID 13108539
3-(aminomethyl)-1-methoxy-4-methylpentan-2-one
CID 116573883
5-amino-1-methoxy-4-methylpentan-2-one
CID 116596528
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methylpent-1-en-3-amine?
The IUPAC name of 2-(methoxymethyl)-4-methylpent-1-en-3-amine (CID 130921121) is 2-(methoxymethyl)-4-methylpent-1-en-3-amine.
What is the SMILES notation for 2-(methoxymethyl)-4-methylpent-1-en-3-amine?
The canonical SMILES for 2-(methoxymethyl)-4-methylpent-1-en-3-amine is C=C(COC)C(N)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-4-methylpent-1-en-3-amine?
The InChIKey is ASKWOTYCYNZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)8(9)7(3)5-10-4/h6,8H,3,5,9H2,1-2,4H3.
What are the key properties of 2-(methoxymethyl)-4-methylpent-1-en-3-amine?
2-(methoxymethyl)-4-methylpent-1-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methylpent-1-en-3-amine is sourced from PubChem (CID 130921121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).