1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine

C16H30N4 — CID 79064925

IUPAC1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
SMILESCCn1ccnc1C(NC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H30N4/c1-5-16(3,20-11-8-7-9-12-20)14(17-4)15-18-10-13-19(15)6-2/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyMVEUBRGHOXUHDG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.82
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine

1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 79064925) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
PubChem CID79064925
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
SMILESCCn1ccnc1C(NC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H30N4/c1-5-16(3,20-11-8-7-9-12-20)14(17-4)15-18-10-13-19(15)6-2/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyMVEUBRGHOXUHDG-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine (CID 79064925) is 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine is CCn1ccnc1C(NC)C(C)(CC)N1CCCCC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is MVEUBRGHOXUHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16(3,20-11-8-7-9-12-20)14(17-4)15-18-10-13-19(15)6-2/h10,13-14,17H,5-9,11-12H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79064925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).