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

C12H25NO — CID 103074477

IUPACN-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COC(C)CC(C)C
InChIInChI=1S/C12H25NO/c1-6-13-8-11(4)9-14-12(5)7-10(2)3/h10,12-13H,4,6-9H2,1-3,5H3
InChIKeyRSQPEDQPLIRBQX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds8

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

N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074477) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074477
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COC(C)CC(C)C
InChIInChI=1S/C12H25NO/c1-6-13-8-11(4)9-14-12(5)7-10(2)3/h10,12-13H,4,6-9H2,1-3,5H3
InChIKeyRSQPEDQPLIRBQX-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
N-tert-butyl-2-(cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074332
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363
2-(ethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074367
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
N-[2-(3-methylbutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074383
2-(3-methylbutoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074384
N-tert-butyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine (CID 103074477) is N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine is C=C(CNCC)COC(C)CC(C)C.
What is the InChIKey of N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is RSQPEDQPLIRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-13-8-11(4)9-14-12(5)7-10(2)3/h10,12-13H,4,6-9H2,1-3,5H3.
What are the key properties of N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine?
N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpentan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).