N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine

C13H29N3O — CID 107094111

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCOCCN(C)C)CCN1C
InChIInChI=1S/C13H29N3O/c1-12-11-13(5-7-16(12)4)14-6-9-17-10-8-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyABGZKIXVZNQCBF-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 107094111) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
PubChem CID107094111
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCOCCN(C)C)CCN1C
InChIInChI=1S/C13H29N3O/c1-12-11-13(5-7-16(12)4)14-6-9-17-10-8-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyABGZKIXVZNQCBF-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
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-[3-(cyclopropylmethoxy)propyl]-1,2-dimethylpiperidin-4-amine
CID 81301163
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 107094063
1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 81302152
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
CID 81332844
tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781210
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
CID 107094281
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 113357739

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine (CID 107094111) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine is CC1CC(NCCOCCN(C)C)CCN1C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is ABGZKIXVZNQCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12-11-13(5-7-16(12)4)14-6-9-17-10-8-15(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 7 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-dimethylpiperidin-4-amine is sourced from PubChem (CID 107094111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).