2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine

C16H34N2 — CID 62413694

IUPAC2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(C(C)C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-17-12-15(13(2)3)18-10-8-14(9-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyAPZODLSRBCMQMJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine

2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 62413694) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID62413694
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(C(C)C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-17-12-15(13(2)3)18-10-8-14(9-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyAPZODLSRBCMQMJ-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
3-(4-tert-butylpiperidin-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81012728
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
N-ethyl-3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007428
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
CID 62411228
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
CID 62569931
2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 55194853
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
CID 62412730
3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol
CID 64898727
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 107456328
3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine
CID 63468032

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine (CID 62413694) is 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine is CCNCC(C(C)C)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is APZODLSRBCMQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-17-12-15(13(2)3)18-10-8-14(9-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine?
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62413694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).