1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine

C12H24N2O — CID 114465633

IUPAC1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
SMILESC=C(C)COCCNC1CCCN(C)C1
InChIInChI=1S/C12H24N2O/c1-11(2)10-15-8-6-13-12-5-4-7-14(3)9-12/h12-13H,1,4-10H2,2-3H3
InChIKeyWGQKFTCSDYHOOB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

About 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine

1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine (PubChem CID 114465633) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
PubChem CID114465633
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
SMILESC=C(C)COCCNC1CCCN(C)C1
InChIInChI=1S/C12H24N2O/c1-11(2)10-15-8-6-13-12-5-4-7-14(3)9-12/h12-13H,1,4-10H2,2-3H3
InChIKeyWGQKFTCSDYHOOB-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-methylpiperidin-3-amine
CID 169661443
5-fluoro-1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-propan-2-ylpiperidin-3-amine
CID 169661446
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901493
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
N-(1-ethoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61821306
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)prop-2-en-1-amine
CID 62331538
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine
CID 63853216
2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine
CID 63854606
N-ethyl-2-methyl-N-(morpholin-3-ylmethyl)prop-2-en-1-amine
CID 65520502

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine (CID 114465633) is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine is C=C(C)COCCNC1CCCN(C)C1.
What is the InChIKey of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
The InChIKey is WGQKFTCSDYHOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)10-15-8-6-13-12-5-4-7-14(3)9-12/h12-13H,1,4-10H2,2-3H3.
What are the key properties of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 114465633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).