2-(2-methylpropoxymethyl)prop-2-en-1-amine

C8H17NO — CID 103074427

IUPAC2-(2-methylpropoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3
InChIKeyQYTOIUGIAVHNMI-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.17
Rot. Bonds5

About 2-(2-methylpropoxymethyl)prop-2-en-1-amine

2-(2-methylpropoxymethyl)prop-2-en-1-amine (PubChem CID 103074427) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(2-methylpropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-methylpropoxymethyl)prop-2-en-1-amine
PubChem CID103074427
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(2-methylpropoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3
InChIKeyQYTOIUGIAVHNMI-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

(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 19858177
(Z)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 52914478
2-(Ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 54519097
(E)-3-fluoro-2-(methoxymethyl)prop-2-en-1-amine
CID 146533122
(E)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372718
(Z)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372719
2-(Ethoxymethyl)buta-2,3-dien-1-amine
CID 19894398
3-(2-Methylprop-2-enoxy)propan-1-amine
CID 54056372
3-(3-Methylbut-2-enoxy)propan-1-amine
CID 58684996
(E)-3-methyl-4-propoxybut-2-en-1-amine
CID 55290462
3-(2-Methylidenebutoxy)propan-1-amine
CID 66045735
2,2-Dimethyl-3-prop-2-enoxypropan-1-amine
CID 79620828

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(2-methylpropoxymethyl)prop-2-en-1-amine (CID 103074427) is 2-(2-methylpropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(2-methylpropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(2-methylpropoxymethyl)prop-2-en-1-amine is C=C(CN)COCC(C)C.
What is the InChIKey of 2-(2-methylpropoxymethyl)prop-2-en-1-amine?
The InChIKey is QYTOIUGIAVHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-methylpropoxymethyl)prop-2-en-1-amine?
2-(2-methylpropoxymethyl)prop-2-en-1-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 2-(2-methylpropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).