2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C11H21NO — CID 103074246

IUPAC2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=CCCOCC(=C)CNC(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-13-9-11(4)8-12-10(2)3/h5,10,12H,1,4,6-9H2,2-3H3
InChIKeyNJOBABWZJRWZPU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds8

About 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074246) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074246
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=CCCOCC(=C)CNC(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-13-9-11(4)8-12-10(2)3/h5,10,12H,1,4,6-9H2,2-3H3
InChIKeyNJOBABWZJRWZPU-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-propan-2-yl-3-prop-2-enoxypropan-1-amine
CID 62342799
N-(3-methoxypropyl)but-3-en-2-amine
CID 87585790
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
3-(3-methylbut-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342601
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
3-but-3-en-2-yloxy-N-propan-2-ylpropan-1-amine
CID 62382321
2-methyl-N-(3-prop-2-enoxypropyl)propan-2-amine
CID 62442636
3-but-3-enoxy-N-propan-2-ylpropan-1-amine
CID 62442852
N-(3-but-3-enoxypropyl)-2-methylpropan-2-amine
CID 62442854
3-(2-methylidenebutoxy)-N-propan-2-ylpropan-1-amine
CID 66045505

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074246) is 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=CCCOCC(=C)CNC(C)C.
What is the InChIKey of 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is NJOBABWZJRWZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-13-9-11(4)8-12-10(2)3/h5,10,12H,1,4,6-9H2,2-3H3.
What are the key properties of 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(but-3-enoxymethyl)-N-propan-2-ylprop-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 2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).