N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine

C19H40N2O — CID 167569269

IUPACN-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCOCCN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C19H40N2O/c1-18(2,3)15-17-7-10-21(11-8-17)12-14-22-13-9-20-16-19(4,5)6/h17,20H,7-16H2,1-6H3
InChIKeyFRNYANHEKFJEFE-UHFFFAOYSA-N
MW312.54 g/mol
LogP3.79
Rot. Bonds8

About N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine

N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 167569269) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
PubChem CID167569269
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC NameN-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCOCCN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C19H40N2O/c1-18(2,3)15-17-7-10-21(11-8-17)12-14-22-13-9-20-16-19(4,5)6/h17,20H,7-16H2,1-6H3
InChIKeyFRNYANHEKFJEFE-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 53.79
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

1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine
CID 44592886
(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
1-[1-(2-Methoxyethyl)piperidin-3-YL]-N-methylmethanamine
CID 43811472
4-[(4-Methylpiperidin-4-yl)methyl]morpholine
CID 63122997
7-(2-Methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 56882262
(2-{1-[2,2-Dimethyl-3-(4-morpholinyl)propyl]-3-piperidinyl}ethyl)amine
CID 45931289
1-[1-(2-Methoxyethyl)piperidin-4-YL]-N-methylmethanamine
CID 28063527
2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 43201453
4-[3-(Piperidin-4-yl)propyl]morpholine
CID 54404787
2,6-Dimethyl-8-morpholin-4-yloctan-1-amine
CID 54517679
2-methoxy-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 57512960
2-methoxy-N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 57830001

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine (CID 167569269) is N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCCOCCN1CCC(CC(C)(C)C)CC1.
What is the InChIKey of N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is FRNYANHEKFJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-18(2,3)15-17-7-10-21(11-8-17)12-14-22-13-9-20-16-19(4,5)6/h17,20H,7-16H2,1-6H3.
What are the key properties of N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine?
N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 312.54 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 167569269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).