1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine

C17H33N3 — CID 61171945

IUPAC1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine
SMILESCCN1CCCC(NC2CCN(CC=C(C)C)CC2)C1
InChIInChI=1S/C17H33N3/c1-4-19-10-5-6-17(14-19)18-16-8-12-20(13-9-16)11-7-15(2)3/h7,16-18H,4-6,8-14H2,1-3H3
InChIKeyPYUFUIIQEBZJSB-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.49
Rot. Bonds5

About 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine

1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine (PubChem CID 61171945) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine
PubChem CID61171945
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine
SMILESCCN1CCCC(NC2CCN(CC=C(C)C)CC2)C1
InChIInChI=1S/C17H33N3/c1-4-19-10-5-6-17(14-19)18-16-8-12-20(13-9-16)11-7-15(2)3/h7,16-18H,4-6,8-14H2,1-3H3
InChIKeyPYUFUIIQEBZJSB-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine (CID 61171945) is 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine is CCN1CCCC(NC2CCN(CC=C(C)C)CC2)C1.
What is the InChIKey of 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine?
The InChIKey is PYUFUIIQEBZJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-19-10-5-6-17(14-19)18-16-8-12-20(13-9-16)11-7-15(2)3/h7,16-18H,4-6,8-14H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine?
1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine has a molecular weight of 279.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 61171945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).