1-tert-butyl-N,4,4-trimethylpiperidin-3-amine

C12H26N2 — CID 117025334

IUPAC1-tert-butyl-N,4,4-trimethylpiperidin-3-amine
SMILESCNC1CN(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)14-8-7-12(4,5)10(9-14)13-6/h10,13H,7-9H2,1-6H3
InChIKeyYZRDULRHDPOPSS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds1

About 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine

1-tert-butyl-N,4,4-trimethylpiperidin-3-amine (PubChem CID 117025334) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N,4,4-trimethylpiperidin-3-amine
PubChem CID117025334
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-tert-butyl-N,4,4-trimethylpiperidin-3-amine
SMILESCNC1CN(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)14-8-7-12(4,5)10(9-14)13-6/h10,13H,7-9H2,1-6H3
InChIKeyYZRDULRHDPOPSS-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine
CID 117025757
1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine
CID 117025355
N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
CID 117025339
1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine
CID 117017087
5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
CID 79860206
3-[4,4-dimethyl-3-(methylamino)piperidin-1-yl]benzonitrile
CID 117025381
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
CID 89335604
CID 174065957
CID 174065957
6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane
CID 175081538
3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 166020567
1-(1-tert-butylazetidin-3-yl)-4,4-dimethylpiperidine
CID 166567337
1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
CID 118031425

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine?
The IUPAC name of 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine (CID 117025334) is 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine?
The canonical SMILES for 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine is CNC1CN(C(C)(C)C)CCC1(C)C.
What is the InChIKey of 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine?
The InChIKey is YZRDULRHDPOPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)14-8-7-12(4,5)10(9-14)13-6/h10,13H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine?
1-tert-butyl-N,4,4-trimethylpiperidin-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,4,4-trimethylpiperidin-3-amine is sourced from PubChem (CID 117025334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).