3-methyl-2-prop-2-enoxybutan-1-amine

C8H17NO — CID 14954769

IUPAC3-methyl-2-prop-2-enoxybutan-1-amine
SMILESC=CCOC(CN)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-10-8(6-9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyPLBCVWVQFJBIII-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.17
Rot. Bonds5

About 3-methyl-2-prop-2-enoxybutan-1-amine

3-methyl-2-prop-2-enoxybutan-1-amine (PubChem CID 14954769) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enoxybutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-prop-2-enoxybutan-1-amine
PubChem CID14954769
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-2-prop-2-enoxybutan-1-amine
SMILESC=CCOC(CN)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-10-8(6-9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyPLBCVWVQFJBIII-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

(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
N,3-dimethyl-2-prop-2-enoxybutan-1-amine
CID 62442257
2-ethoxy-3-methylbutan-1-amine
CID 62445436
3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444983
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
2-(cyclopropylmethoxy)-3-methylbutan-1-amine
CID 62457455
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
CID 115505872
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
2-(2-cyclopropylethoxy)-3-methylbutan-1-amine
CID 106205725

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-2-enoxybutan-1-amine?
The IUPAC name of 3-methyl-2-prop-2-enoxybutan-1-amine (CID 14954769) is 3-methyl-2-prop-2-enoxybutan-1-amine.
What is the SMILES notation for 3-methyl-2-prop-2-enoxybutan-1-amine?
The canonical SMILES for 3-methyl-2-prop-2-enoxybutan-1-amine is C=CCOC(CN)C(C)C.
What is the InChIKey of 3-methyl-2-prop-2-enoxybutan-1-amine?
The InChIKey is PLBCVWVQFJBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-10-8(6-9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3.
What are the key properties of 3-methyl-2-prop-2-enoxybutan-1-amine?
3-methyl-2-prop-2-enoxybutan-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 3-methyl-2-prop-2-enoxybutan-1-amine is sourced from PubChem (CID 14954769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).