2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

C11H23NO — CID 103074654

IUPAC2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC(C)CC
InChIInChI=1S/C11H23NO/c1-6-11(5)13-8-10(4)7-12-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyPAEGNYGZNIGECK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds7

About 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074654) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074654
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC(C)CC
InChIInChI=1S/C11H23NO/c1-6-11(5)13-8-10(4)7-12-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyPAEGNYGZNIGECK-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074479
2-(butan-2-yloxymethyl)-3-chloroprop-1-ene
CID 103066077
2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074642
N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine
CID 103075205
2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074534
2-(1-ethoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
CID 103489370
potassium 3-butan-2-yloxyprop-1-en-2-yl(trifluoro)boranuide
CID 106746733
2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068184
2-(cyclopentylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074903
2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103067008
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
3-methyl-N-(2-methylidenebutyl)pentan-2-amine
CID 66045931

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074654) is 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COC(C)CC.
What is the InChIKey of 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is PAEGNYGZNIGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-11(5)13-8-10(4)7-12-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3.
What are the key properties of 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).