1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine

C14H30N2 — CID 63855330

IUPAC1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(CCC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-12(15-5)13-7-6-9-16(11-13)10-8-14(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyDPXLIXLOQAMCLR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds4

About 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine

1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine (PubChem CID 63855330) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
PubChem CID63855330
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(CCC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-12(15-5)13-7-6-9-16(11-13)10-8-14(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyDPXLIXLOQAMCLR-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701930
N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide
CID 63891364
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
CID 107910860
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
CID 63854102
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-3-yl]ethanamine
CID 63854795
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine (CID 63855330) is 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine is CNC(C)C1CCCN(CCC(C)(C)C)C1.
What is the InChIKey of 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine?
The InChIKey is DPXLIXLOQAMCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(15-5)13-7-6-9-16(11-13)10-8-14(2,3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine?
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine is sourced from PubChem (CID 63855330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).