N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine

C15H30N2O — CID 106396896

IUPACN-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESC=CCCOCCNC(C)C1CCN(CC)CC1
InChIInChI=1S/C15H30N2O/c1-4-6-12-18-13-9-16-14(3)15-7-10-17(5-2)11-8-15/h4,14-16H,1,5-13H2,2-3H3
InChIKeyKQNYCNYHXQCKJV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine

N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine (PubChem CID 106396896) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine
PubChem CID106396896
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESC=CCCOCCNC(C)C1CCN(CC)CC1
InChIInChI=1S/C15H30N2O/c1-4-6-12-18-13-9-16-14(3)15-7-10-17(5-2)11-8-15/h4,14-16H,1,5-13H2,2-3H3
InChIKeyKQNYCNYHXQCKJV-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
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

2-Pent-4-en-2-ylmorpholine
CID 66612517
2-Pent-1-en-3-ylmorpholine
CID 68589735
2-Ethyl-2-prop-2-enylmorpholine
CID 70214828
Azane;2-ethyl-2,3-bis(prop-2-enyl)morpholine
CID 70503385
3-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylprop-1-en-2-amine
CID 135165135
N-[2-(2-piperidin-4-ylethoxy)ethyl]but-3-en-1-amine
CID 141050443
(2R)-2-ethyl-2-prop-2-enylmorpholine
CID 146327256
Azane;2-ethyl-2-prop-2-enylmorpholine
CID 174744025
Ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene
CID 176945999
2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
CID 4711961
2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
CID 4712397
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-(1-ethylpiperidin-4-yl)ethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine (CID 106396896) is N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine is C=CCCOCCNC(C)C1CCN(CC)CC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine?
The InChIKey is KQNYCNYHXQCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-6-12-18-13-9-16-14(3)15-7-10-17(5-2)11-8-15/h4,14-16H,1,5-13H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine?
N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 9 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-(1-ethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 106396896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).