N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C14H28N2O — CID 43769589

IUPACN-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)5-9-16-10-6-14(7-11-16)15-8-4-12-17-3/h5,14-15H,4,6-12H2,1-3H3
InChIKeyGBVTZEWVPKPXKY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds7

About N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43769589) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43769589
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)5-9-16-10-6-14(7-11-16)15-8-4-12-17-3/h5,14-15H,4,6-12H2,1-3H3
InChIKeyGBVTZEWVPKPXKY-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103082726
2,2-Difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
N-(3-methylbut-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 103605381
1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 103605382
1-ethyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 103605383
1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
3-[(4-Methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine
CID 134406258
ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 144804921
ethane;N-methyl-1-[(E)-2-methylbut-2-enyl]piperidin-4-amine
CID 172265812
N-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 43607256
N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43754885

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43769589) is N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is COCCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is GBVTZEWVPKPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2)5-9-16-10-6-14(7-11-16)15-8-4-12-17-3/h5,14-15H,4,6-12H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43769589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).