3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine

C13H24N4 — CID 81460655

IUPAC3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2nccn2CC)CCC1N
InChIInChI=1S/C13H24N4/c1-3-11-9-16(7-5-12(11)14)10-13-15-6-8-17(13)4-2/h6,8,11-12H,3-5,7,9-10,14H2,1-2H3
InChIKeySEVGJPNHTKRRDP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds4

About 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine

3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine (PubChem CID 81460655) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
PubChem CID81460655
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2nccn2CC)CCC1N
InChIInChI=1S/C13H24N4/c1-3-11-9-16(7-5-12(11)14)10-13-15-6-8-17(13)4-2/h6,8,11-12H,3-5,7,9-10,14H2,1-2H3
InChIKeySEVGJPNHTKRRDP-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 114526097
3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 81460638
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 45169566
4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 25287129
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine (CID 81460655) is 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine is CCC1CN(Cc2nccn2CC)CCC1N.
What is the InChIKey of 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is SEVGJPNHTKRRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-11-9-16(7-5-12(11)14)10-13-15-6-8-17(13)4-2/h6,8,11-12H,3-5,7,9-10,14H2,1-2H3.
What are the key properties of 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 81460655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).