5-butyl-1-ethyl-N-methylpiperidin-3-amine

C12H26N2 — CID 83989561

IUPAC5-butyl-1-ethyl-N-methylpiperidin-3-amine
SMILESCCCCC1CC(NC)CN(CC)C1
InChIInChI=1S/C12H26N2/c1-4-6-7-11-8-12(13-3)10-14(5-2)9-11/h11-13H,4-10H2,1-3H3
InChIKeyUQTDQXSEMFIDRS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds5

About 5-butyl-1-ethyl-N-methylpiperidin-3-amine

5-butyl-1-ethyl-N-methylpiperidin-3-amine (PubChem CID 83989561) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-butyl-1-ethyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name5-butyl-1-ethyl-N-methylpiperidin-3-amine
PubChem CID83989561
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name5-butyl-1-ethyl-N-methylpiperidin-3-amine
SMILESCCCCC1CC(NC)CN(CC)C1
InChIInChI=1S/C12H26N2/c1-4-6-7-11-8-12(13-3)10-14(5-2)9-11/h11-13H,4-10H2,1-3H3
InChIKeyUQTDQXSEMFIDRS-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-5-butyl-N-methylpiperidin-3-amine
CID 83990113
N-methyl-1,5-dipropylpiperidin-3-amine
CID 83989593
3-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990202
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
3-[5-(cyclopropylmethylamino)-1-ethylpiperidin-3-yl]propan-1-ol
CID 83996265
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
5-benzyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989565
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
5-butyl-1-cyclopentyl-N-propylpiperidin-3-amine
CID 83991121

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-ethyl-N-methylpiperidin-3-amine?
The IUPAC name of 5-butyl-1-ethyl-N-methylpiperidin-3-amine (CID 83989561) is 5-butyl-1-ethyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 5-butyl-1-ethyl-N-methylpiperidin-3-amine?
The canonical SMILES for 5-butyl-1-ethyl-N-methylpiperidin-3-amine is CCCCC1CC(NC)CN(CC)C1.
What is the InChIKey of 5-butyl-1-ethyl-N-methylpiperidin-3-amine?
The InChIKey is UQTDQXSEMFIDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-7-11-8-12(13-3)10-14(5-2)9-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 5-butyl-1-ethyl-N-methylpiperidin-3-amine?
5-butyl-1-ethyl-N-methylpiperidin-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-ethyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 83989561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).