N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine

C16H35N3O — CID 62554486

IUPACN-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCCCOCCNCCN(C)C1CCN(CC)CC1
InChIInChI=1S/C16H35N3O/c1-4-6-14-20-15-10-17-9-13-18(3)16-7-11-19(5-2)12-8-16/h16-17H,4-15H2,1-3H3
InChIKeyMUDBPRWCZWELNF-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.81
Rot. Bonds11

About N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine

N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 62554486) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID62554486
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCCCOCCNCCN(C)C1CCN(CC)CC1
InChIInChI=1S/C16H35N3O/c1-4-6-14-20-15-10-17-9-13-18(3)16-7-11-19(5-2)12-8-16/h16-17H,4-15H2,1-3H3
InChIKeyMUDBPRWCZWELNF-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.81
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-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62563787
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088812
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine (CID 62554486) is N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine is CCCCOCCNCCN(C)C1CCN(CC)CC1.
What is the InChIKey of N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is MUDBPRWCZWELNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-4-6-14-20-15-10-17-9-13-18(3)16-7-11-19(5-2)12-8-16/h16-17H,4-15H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine?
N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62554486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).