N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine

C15H30N2O — CID 103914587

IUPACN-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESC=CCCOCCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-4-5-11-18-12-8-16-15-6-9-17(10-7-15)13-14(2)3/h4,14-16H,1,5-13H2,2-3H3
InChIKeyJPKWLNIXYJOEAP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine

N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103914587) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103914587
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESC=CCCOCCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-4-5-11-18-12-8-16-15-6-9-17(10-7-15)13-14(2)3/h4,14-16H,1,5-13H2,2-3H3
InChIKeyJPKWLNIXYJOEAP-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

N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914589
3-Morpholin-4-yloct-7-en-1-amine
CID 70245026
4-Piperidin-4-ylmorpholine;prop-1-ene
CID 153630611
Ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene
CID 176945999
N-[(3R)-2,3-dihydrofuran-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 178157129
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine (CID 103914587) is N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine is C=CCCOCCNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is JPKWLNIXYJOEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-5-11-18-12-8-16-15-6-9-17(10-7-15)13-14(2)3/h4,14-16H,1,5-13H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine 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-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103914587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).