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

C8H17NO — CID 103074645

IUPAC2-(butoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCC
InChIInChI=1S/C8H17NO/c1-3-4-5-10-7-8(2)6-9/h2-7,9H2,1H3
InChIKeyHRNRVTMMPMYUFF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

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

2-(butoxymethyl)prop-2-en-1-amine (PubChem CID 103074645) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(butoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(butoxymethyl)prop-2-en-1-amine
PubChem CID103074645
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(butoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCC
InChIInChI=1S/C8H17NO/c1-3-4-5-10-7-8(2)6-9/h2-7,9H2,1H3
InChIKeyHRNRVTMMPMYUFF-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4,4,4-Trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075046
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

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(butoxymethyl)prop-2-en-1-amine (CID 103074645) is 2-(butoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(butoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(butoxymethyl)prop-2-en-1-amine is C=C(CN)COCCCC.
What is the InChIKey of 2-(butoxymethyl)prop-2-en-1-amine?
The InChIKey is HRNRVTMMPMYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-10-7-8(2)6-9/h2-7,9H2,1H3.
What are the key properties of 2-(butoxymethyl)prop-2-en-1-amine?
2-(butoxymethyl)prop-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).