1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine

C17H34N2O — CID 43770121

IUPAC1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCOCC(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)6-10-19-11-7-17(8-12-19)18-9-5-13-20-14-16(3)4/h6,16-18H,5,7-14H2,1-4H3
InChIKeyFMXPJHDLSUNVGE-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.07
Rot. Bonds9

About 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine (PubChem CID 43770121) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
PubChem CID43770121
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCOCC(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)6-10-19-11-7-17(8-12-19)18-9-5-13-20-14-16(3)4/h6,16-18H,5,7-14H2,1-4H3
InChIKeyFMXPJHDLSUNVGE-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.07
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-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
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
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
CID 43769519
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605
N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770798
N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770913
N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43771254
1-(3-methylbut-2-enyl)-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 43771390
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine (CID 43770121) is 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine is CC(C)=CCN1CCC(NCCCOCC(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine?
The InChIKey is FMXPJHDLSUNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)6-10-19-11-7-17(8-12-19)18-9-5-13-20-14-16(3)4/h6,16-18H,5,7-14H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine has a molecular weight of 282.47 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine is sourced from PubChem (CID 43770121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).