2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine

C10H21NO — CID 103074482

IUPAC2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-10(4)12-7-9(3)6-11/h8,10H,3,5-7,11H2,1-2,4H3
InChIKeyLJMBTSHRJBMWSS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds6

About 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine

2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074482) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074482
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-10(4)12-7-9(3)6-11/h8,10H,3,5-7,11H2,1-2,4H3
InChIKeyLJMBTSHRJBMWSS-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
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

4-(4-Methylpentan-2-yloxy)but-2-en-1-amine
CID 77110568
2-(Cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074334
2-(3-Methylbutoxymethyl)prop-2-en-1-amine
CID 103074387
2-(2-Methylpropoxymethyl)prop-2-en-1-amine
CID 103074427
N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
CID 103074477
2-(4-methylpentan-2-yloxymethyl)-N-propylprop-2-en-1-amine
CID 103074481
N-methyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
CID 103074483
2-(2-Ethylhexoxymethyl)prop-2-en-1-amine
CID 103074536
2-(4-Methylpentoxymethyl)prop-2-en-1-amine
CID 103074543
N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074544
2-(2-Methylbutan-2-yloxymethyl)prop-2-en-1-amine
CID 103074550
2-(Pentoxymethyl)prop-2-en-1-amine
CID 103074638

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine (CID 103074482) is 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine is C=C(CN)COC(C)CC(C)C.
What is the InChIKey of 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is LJMBTSHRJBMWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)5-10(4)12-7-9(3)6-11/h8,10H,3,5-7,11H2,1-2,4H3.
What are the key properties of 2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 6 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)prop-2-en-1-amine is sourced from PubChem (CID 103074482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).