1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine

C12H26N2 — CID 21132217

IUPAC1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCCN1C(C)(C)C
InChIInChI=1S/C12H26N2/c1-12(2,3)14-9-7-6-8-11(14)10-13(4)5/h11H,6-10H2,1-5H3
InChIKeyJVRSOPFWRUAGNS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds2

About 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine

1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine (PubChem CID 21132217) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
PubChem CID21132217
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCCN1C(C)(C)C
InChIInChI=1S/C12H26N2/c1-12(2,3)14-9-7-6-8-11(14)10-13(4)5/h11H,6-10H2,1-5H3
InChIKeyJVRSOPFWRUAGNS-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
(1-tert-butylazepan-2-yl)methanol
CID 84660252
1-tert-butyl-2-propylpiperidine
CID 59028554
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 58408814
2-(1-tert-butylazepan-2-yl)ethanamine
CID 84668474
3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane
CID 157240272
(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
CID 62885069
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
CID 172515405
1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 172509603

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine (CID 21132217) is 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine is CN(C)CC1CCCCN1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is JVRSOPFWRUAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)14-9-7-6-8-11(14)10-13(4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine?
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 21132217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).