N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine

C11H21NO — CID 103075148

IUPACN-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
SMILESC=C(C)CCOCC(=C)CNCC
InChIInChI=1S/C11H21NO/c1-5-12-8-11(4)9-13-7-6-10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyQTPMOEOKTTXECD-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds8

About N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine

N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine (PubChem CID 103075148) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
PubChem CID103075148
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
SMILESC=C(C)CCOCC(=C)CNCC
InChIInChI=1S/C11H21NO/c1-5-12-8-11(4)9-13-7-6-10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyQTPMOEOKTTXECD-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
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

N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039
N-propyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075045
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
4-Methyl-3-methylidene-1,5-oxazocane
CID 123153618
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine
CID 59810890
N-(3-ethoxypropyl)-2-methylprop-2-en-1-amine
CID 60689898
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
N-ethyl-2-(2-methylidenebutoxy)ethanamine
CID 66045501
N-[2-(2-methylidenebutoxy)ethyl]propan-1-amine
CID 66045502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine (CID 103075148) is N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine is C=C(C)CCOCC(=C)CNCC.
What is the InChIKey of N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
The InChIKey is QTPMOEOKTTXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-12-8-11(4)9-13-7-6-10(2)3/h12H,2,4-9H2,1,3H3.
What are the key properties of N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).