ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine

C24H56N4 — CID 143378461

IUPACethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine
SMILESC.C.C.CC.CCCN(C)/C(C)=C\CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C19H38N4.C2H6.3CH4/c1-4-9-20(3)19(2)8-12-22-14-17-23(18-15-22)16-13-21-10-6-5-7-11-21;1-2;;;/h8H,4-7,9-18H2,1-3H3;1-2H3;3*1H4/b19-8-;;;;
InChIKeyRINRQBVRNTTWMV-LRSHZYOCSA-N
MW400.74 g/mol
LogP5.27
Rot. Bonds8

About ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine

ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine (PubChem CID 143378461) has the molecular formula C24H56N4 and a molecular weight of 400.74 g/mol. Its IUPAC name is ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine.

Molecular Properties

Compound Nameethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine
PubChem CID143378461
Molecular FormulaC24H56N4
Molecular Weight400.74 g/mol
Exact Mass400.45
IUPAC Nameethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine
SMILESC.C.C.CC.CCCN(C)/C(C)=C\CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C19H38N4.C2H6.3CH4/c1-4-9-20(3)19(2)8-12-22-14-17-23(18-15-22)16-13-21-10-6-5-7-11-21;1-2;;;/h8H,4-7,9-18H2,1-3H3;1-2H3;3*1H4/b19-8-;;;;
InChIKeyRINRQBVRNTTWMV-LRSHZYOCSA-N
XLogP5.27
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine?
The IUPAC name of ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine (CID 143378461) is ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine.
What is the SMILES notation for ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine?
The canonical SMILES for ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine is C.C.C.CC.CCCN(C)/C(C)=C\CN1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine?
The InChIKey is RINRQBVRNTTWMV-LRSHZYOCSA-N. The full InChI is InChI=1S/C19H38N4.C2H6.3CH4/c1-4-9-20(3)19(2)8-12-22-14-17-23(18-15-22)16-13-21-10-6-5-7-11-21;1-2;;;/h8H,4-7,9-18H2,1-3H3;1-2H3;3*1H4/b19-8-;;;;.
What are the key properties of ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine?
ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine has a molecular weight of 400.74 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(Z)-N-methyl-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-N-propylbut-2-en-2-amine is sourced from PubChem (CID 143378461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).