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

C16H32N2O2 — CID 43770913

IUPACN-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCOCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-15(2)5-9-18-10-6-16(7-11-18)17-8-4-12-20-14-13-19-3/h5,16-17H,4,6-14H2,1-3H3
InChIKeyTUPXSSUWBYMFKC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.06
Rot. Bonds10

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

N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43770913) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43770913
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCOCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-15(2)5-9-18-10-6-16(7-11-18)17-8-4-12-20-14-13-19-3/h5,16-17H,4,6-14H2,1-3H3
InChIKeyTUPXSSUWBYMFKC-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43770121
N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770798
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
1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
CID 43778538
N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 54907834
N-(2-butoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61170311
N-(4-methoxybutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61815165
N-[2-(2-methoxyethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61821180

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43770913) is N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is COCCOCCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is TUPXSSUWBYMFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2)5-9-18-10-6-16(7-11-18)17-8-4-12-20-14-13-19-3/h5,16-17H,4,6-14H2,1-3H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 284.44 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43770913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).