2-(4-methylpentoxymethyl)prop-2-en-1-amine

C10H21NO — CID 103074543

IUPAC2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCC(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-4-6-12-8-10(3)7-11/h9H,3-8,11H2,1-2H3
InChIKeyMAXXYRUTMZRWGT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds7

About 2-(4-methylpentoxymethyl)prop-2-en-1-amine

2-(4-methylpentoxymethyl)prop-2-en-1-amine (PubChem CID 103074543) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(4-methylpentoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(4-methylpentoxymethyl)prop-2-en-1-amine
PubChem CID103074543
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCC(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-4-6-12-8-10(3)7-11/h9H,3-8,11H2,1-2H3
InChIKeyMAXXYRUTMZRWGT-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylpentoxy)but-2-en-1-amine
CID 77110143
2-(3-Methylbutoxymethyl)prop-2-en-1-amine
CID 103074387
N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074388
2-(2-Methylpropoxymethyl)prop-2-en-1-amine
CID 103074427
2-(4-Methylpentan-2-yloxymethyl)prop-2-en-1-amine
CID 103074482
N-methyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
CID 103074483
2-(Heptoxymethyl)prop-2-en-1-amine
CID 103074513
2-(2-Ethylhexoxymethyl)prop-2-en-1-amine
CID 103074536
N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074538
2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine
CID 103074542
N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074544
2-(Hexoxymethyl)prop-2-en-1-amine
CID 103074557

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(4-methylpentoxymethyl)prop-2-en-1-amine (CID 103074543) is 2-(4-methylpentoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(4-methylpentoxymethyl)prop-2-en-1-amine is C=C(CN)COCCCC(C)C.
What is the InChIKey of 2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The InChIKey is MAXXYRUTMZRWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)5-4-6-12-8-10(3)7-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-(4-methylpentoxymethyl)prop-2-en-1-amine?
2-(4-methylpentoxymethyl)prop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).