N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C14H28N2O — CID 43778419

IUPACN-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCOCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-17-12-8-15-14-6-10-16(11-7-14)9-5-13(2)3/h5,14-15H,4,6-12H2,1-3H3
InChIKeyVDBUAEAJORDTNY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds7

About N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43778419) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43778419
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCOCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-17-12-8-15-14-6-10-16(11-7-14)9-5-13(2)3/h5,14-15H,4,6-12H2,1-3H3
InChIKeyVDBUAEAJORDTNY-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103082726
(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
1-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900346
4-Ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
4-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]morpholine
CID 107489754
(4E,6Z)-4-ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 144056576
4-Piperidin-4-ylmorpholine;prop-1-ene
CID 153630611
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43778419) is N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CCOCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is VDBUAEAJORDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-17-12-8-15-14-6-10-16(11-7-14)9-5-13(2)3/h5,14-15H,4,6-12H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43778419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).