2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

C13H27NO — CID 103074479

IUPAC2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-13(6)15-9-12(5)8-14-11(3)4/h10-11,13-14H,5,7-9H2,1-4,6H3
InChIKeyOQJIEDRVLOUIOT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds8

About 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074479) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074479
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-13(6)15-9-12(5)8-14-11(3)4/h10-11,13-14H,5,7-9H2,1-4,6H3
InChIKeyOQJIEDRVLOUIOT-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074654
2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074642
2-(cyclopentylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074903
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-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103067008
2-(1-ethoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
CID 103489370
1-methoxy-3-(4-methylpentan-2-yloxy)propan-2-one
CID 107507923
2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074470
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
2-(3-methylbutylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 107754180
[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate
CID 174576653

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074479) is 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COC(C)CC(C)C.
What is the InChIKey of 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is OQJIEDRVLOUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)7-13(6)15-9-12(5)8-14-11(3)4/h10-11,13-14H,5,7-9H2,1-4,6H3.
What are the key properties of 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).