N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine

C12H25NO — CID 103284475

IUPACN-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC(C)CCC
InChIInChI=1S/C12H25NO/c1-5-7-11(3)9-14-10-12(4)8-13-6-2/h11,13H,4-10H2,1-3H3
InChIKeyWMPIUQMHGKLHLQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds9

About N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine

N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine (PubChem CID 103284475) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine
PubChem CID103284475
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC(C)CCC
InChIInChI=1S/C12H25NO/c1-5-7-11(3)9-14-10-12(4)8-13-6-2/h11,13H,4-10H2,1-3H3
InChIKeyWMPIUQMHGKLHLQ-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine (CID 103284475) is N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCC(C)CCC.
What is the InChIKey of N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine?
The InChIKey is WMPIUQMHGKLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-11(3)9-14-10-12(4)8-13-6-2/h11,13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103284475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).