2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C11H23NO — CID 103074642

IUPAC2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCC
InChIInChI=1S/C11H23NO/c1-5-6-7-13-9-11(4)8-12-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyJQOBLACYPQZIKR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds8

About 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074642) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074642
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCC
InChIInChI=1S/C11H23NO/c1-5-6-7-13-9-11(4)8-12-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyJQOBLACYPQZIKR-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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

2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074534
N-[2-(butoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074641
2-(cyclopentylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074903
N-ethyl-2-(heptoxymethyl)prop-2-en-1-amine
CID 103074509
2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074654
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074544
2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074479
N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine
CID 103074561
3-butoxyprop-1-en-2-olate
CID 150634634
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650
N-(2-decoxyethyl)propan-2-amine
CID 63399572

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074642) is 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCCCC.
What is the InChIKey of 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is JQOBLACYPQZIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-13-9-11(4)8-12-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).