N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine

C13H26N2O — CID 103905016

IUPACN-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine
SMILESC=CCCOCCNC1CCN(C)C(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-9-16-10-7-14-13-6-8-15(3)12(2)11-13/h4,12-14H,1,5-11H2,2-3H3
InChIKeyGLUDVESBFDFCAT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine

N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine (PubChem CID 103905016) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine
PubChem CID103905016
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine
SMILESC=CCCOCCNC1CCN(C)C(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-9-16-10-7-14-13-6-8-15(3)12(2)11-13/h4,12-14H,1,5-11H2,2-3H3
InChIKeyGLUDVESBFDFCAT-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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

N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914589
N-(3-morpholin-4-ylpropyl)pent-4-en-1-amine
CID 64316038
1-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900346
3-Morpholin-4-yloct-7-en-1-amine
CID 70245026
2,3-Bis(prop-2-enyl)morpholine
CID 118117583
4-Piperidin-4-ylmorpholine;prop-1-ene
CID 153630611
N-[(3R)-2,3-dihydrofuran-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 178157129
N-(2-morpholin-4-ylethyl)dec-1-en-4-amine
CID 4711923
2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
CID 4711961
N-(3-morpholin-4-ylpropyl)dec-1-en-4-amine
CID 4711962
N-(2-morpholin-4-ylethyl)hept-1-en-4-amine
CID 4712394
N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
CID 4712416

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine (CID 103905016) is N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine is C=CCCOCCNC1CCN(C)C(C)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is GLUDVESBFDFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-9-16-10-7-14-13-6-8-15(3)12(2)11-13/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine?
N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 103905016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).