2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine

C12H23NO — CID 103075154

IUPAC2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)CCOCC(=C)CNCCC
InChIInChI=1S/C12H23NO/c1-5-7-13-9-12(4)10-14-8-6-11(2)3/h13H,2,4-10H2,1,3H3
InChIKeyJTIHNCWGBQPFAG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.53
Rot. Bonds9

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

2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103075154) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103075154
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)CCOCC(=C)CNCCC
InChIInChI=1S/C12H23NO/c1-5-7-13-9-12(4)10-14-8-6-11(2)3/h13H,2,4-10H2,1,3H3
InChIKeyJTIHNCWGBQPFAG-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.53
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 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine (CID 103075154) is 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine is C=C(C)CCOCC(=C)CNCCC.
What is the InChIKey of 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is JTIHNCWGBQPFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-7-13-9-12(4)10-14-8-6-11(2)3/h13H,2,4-10H2,1,3H3.
What are the key properties of 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine?
2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103075154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).