N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine

C12H26N2 — CID 115705729

IUPACN-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
SMILESCCC(C)NC1CCN(CC)C(C)C1
InChIInChI=1S/C12H26N2/c1-5-10(3)13-12-7-8-14(6-2)11(4)9-12/h10-13H,5-9H2,1-4H3
InChIKeyAXBKKPLSWAHUJH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

About N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine

N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine (PubChem CID 115705729) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
PubChem CID115705729
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
SMILESCCC(C)NC1CCN(CC)C(C)C1
InChIInChI=1S/C12H26N2/c1-5-10(3)13-12-7-8-14(6-2)11(4)9-12/h10-13H,5-9H2,1-4H3
InChIKeyAXBKKPLSWAHUJH-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
CID 115887559
3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 104695392
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342
N-cyclohexyl-1-ethyl-2-methylpiperidin-4-amine
CID 115654044
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 115716628
N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
CID 115717320
1-ethyl-2-methyl-N-(2-propylcyclopropyl)piperidin-4-amine
CID 115892178
1-ethyl-2,4,5-trimethylazepane
CID 118247359
2-[(1-ethyl-2-methylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891321

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine (CID 115705729) is N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine is CCC(C)NC1CCN(CC)C(C)C1.
What is the InChIKey of N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine?
The InChIKey is AXBKKPLSWAHUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10(3)13-12-7-8-14(6-2)11(4)9-12/h10-13H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine?
N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 115705729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).