N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine

C15H33N3O — CID 107094063

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCOCCN(C)C)CC1
InChIInChI=1S/C15H33N3O/c1-14(2)13-18-8-5-15(6-9-18)16-7-11-19-12-10-17(3)4/h14-16H,5-13H2,1-4H3
InChIKeyLGQAJLHSWZORIG-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.27
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 107094063) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID107094063
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCOCCN(C)C)CC1
InChIInChI=1S/C15H33N3O/c1-14(2)13-18-8-5-15(6-9-18)16-7-11-19-12-10-17(3)4/h14-16H,5-13H2,1-4H3
InChIKeyLGQAJLHSWZORIG-UHFFFAOYSA-N
XLogP1.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
CID 107094111
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
CID 107094281
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748
N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
CID 169214901
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine (CID 107094063) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine is CC(C)CN1CCC(NCCOCCN(C)C)CC1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is LGQAJLHSWZORIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-14(2)13-18-8-5-15(6-9-18)16-7-11-19-12-10-17(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 271.45 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 107094063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).