(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine

C12H26N2 — CID 117025757

IUPAC(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine
SMILESCC1(C)CCN(C(C)(C)C)CC1CN
InChIInChI=1S/C12H26N2/c1-11(2,3)14-7-6-12(4,5)10(8-13)9-14/h10H,6-9,13H2,1-5H3
InChIKeySRHITEDZSSWQNH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds1

About (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine

(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine (PubChem CID 117025757) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine
PubChem CID117025757
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine
SMILESCC1(C)CCN(C(C)(C)C)CC1CN
InChIInChI=1S/C12H26N2/c1-11(2,3)14-7-6-12(4,5)10(8-13)9-14/h10H,6-9,13H2,1-5H3
InChIKeySRHITEDZSSWQNH-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-tert-butyl-4,4-dimethylpyrrolidin-3-yl)methanamine
CID 155184234
1-tert-butyl-N,4,4-trimethylpiperidin-3-amine
CID 117025334
[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
CID 117025776
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536
(2,2-dimethylcyclohexyl)methanamine
CID 22484483
1,4-ditert-butyl-3,3-dimethylpyrrolidine
CID 170668415
(4-amino-1-tert-butylpiperidin-4-yl)methanol
CID 3742222
CID 174065957
CID 174065957
3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 166020567
6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane
CID 175081538
(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
CID 115022739

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine?
The IUPAC name of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine (CID 117025757) is (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine?
The canonical SMILES for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine is CC1(C)CCN(C(C)(C)C)CC1CN.
What is the InChIKey of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine?
The InChIKey is SRHITEDZSSWQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)14-7-6-12(4,5)10(8-13)9-14/h10H,6-9,13H2,1-5H3.
What are the key properties of (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine?
(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine is sourced from PubChem (CID 117025757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).