N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine

C16H34N2O — CID 126654368

IUPACN-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine
SMILESCC(C)(C)COCCN1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6/h14,17H,7-13H2,1-6H3
InChIKeyCGHVWRPYIKOTMO-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds5

About N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine

N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine (PubChem CID 126654368) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine
PubChem CID126654368
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine
SMILESCC(C)(C)COCCN1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6/h14,17H,7-13H2,1-6H3
InChIKeyCGHVWRPYIKOTMO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine
CID 58365048
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353
1-[2-(5,5-dimethylhex-2-ynoxy)ethyl]-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine
CID 153439588
1-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidin-4-amine
CID 103815473
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592230
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane
CID 167501392
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
tert-butyl N-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-yl]carbamate
CID 156865630
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine?
The IUPAC name of N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine (CID 126654368) is N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine?
The canonical SMILES for N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine is CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine?
The InChIKey is CGHVWRPYIKOTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6/h14,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine?
N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 126654368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).