3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine

C13H28N2O — CID 62932034

IUPAC3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCN1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2)5-10-15(11-6-13)9-4-7-14-8-12-16-3/h14H,4-12H2,1-3H3
InChIKeyMKHNEXBTRCLTPK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine

3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62932034) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62932034
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCN1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2)5-10-15(11-6-13)9-4-7-14-8-12-16-3/h14H,4-12H2,1-3H3
InChIKeyMKHNEXBTRCLTPK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
3-(4-ethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562042
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 63163581
N-(2-methoxyethyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 55087286
5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine (CID 62932034) is 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCN1CCC(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is MKHNEXBTRCLTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2)5-10-15(11-6-13)9-4-7-14-8-12-16-3/h14H,4-12H2,1-3H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62932034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).