1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine

C12H26N2 — CID 117025884

IUPAC1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine
SMILESCNCC1CN(C(C)C)CCC1(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14-7-6-12(3,4)11(9-14)8-13-5/h10-11,13H,6-9H2,1-5H3
InChIKeyGIQBZLUSDIZYNG-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds3

About 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine

1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine (PubChem CID 117025884) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine
PubChem CID117025884
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine
SMILESCNCC1CN(C(C)C)CCC1(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14-7-6-12(3,4)11(9-14)8-13-5/h10-11,13H,6-9H2,1-5H3
InChIKeyGIQBZLUSDIZYNG-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 117025067
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 58778381
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025525
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 127000189
7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane
CID 170274306
(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 166707515
N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine
CID 63249288
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine (CID 117025884) is 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine is CNCC1CN(C(C)C)CCC1(C)C.
What is the InChIKey of 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine?
The InChIKey is GIQBZLUSDIZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)14-7-6-12(3,4)11(9-14)8-13-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine?
1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117025884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).