ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine

C21H46N4 — CID 177181586

IUPACethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(C)CCCN1CCN(CCCN(CC)C(C)C)CC1.CC
InChIInChI=1S/C19H40N4.C2H6/c1-7-23(19(4)5)13-9-12-22-16-14-21(15-17-22)11-8-10-20(6)18(2)3;1-2/h19H,2,7-17H2,1,3-6H3;1-2H3
InChIKeyBSPQAHKYIHKRBF-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.61
Rot. Bonds11

About ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine

ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 177181586) has the molecular formula C21H46N4 and a molecular weight of 354.63 g/mol. Its IUPAC name is ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Nameethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine
PubChem CID177181586
Molecular FormulaC21H46N4
Molecular Weight354.63 g/mol
Exact Mass354.37
IUPAC Nameethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(C)CCCN1CCN(CCCN(CC)C(C)C)CC1.CC
InChIInChI=1S/C19H40N4.C2H6/c1-7-23(19(4)5)13-9-12-22-16-14-21(15-17-22)11-8-10-20(6)18(2)3;1-2/h19H,2,7-17H2,1,3-6H3;1-2H3
InChIKeyBSPQAHKYIHKRBF-UHFFFAOYSA-N
XLogP3.61
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-4-prop-1-en-2-ylpiperazine
CID 20829762
1-Methyl-4-prop-1-en-2-ylpiperazine
CID 21366497
1-Propan-2-yl-4-prop-1-en-2-ylpiperazine
CID 58547477
1-Methyl-2-methylidene-4-propan-2-ylpiperazine
CID 58548422
1,4-Bis(prop-1-en-2-yl)piperazine
CID 59955120
2-Methylidene-1,4-di(propan-2-yl)piperazine
CID 68267223
N,N-dimethyl-1-(5-methyl-1,4-diazabicyclo[2.2.2]oct-5-en-2-yl)methanamine
CID 68476783
N,N-dimethyl-1-(6-methyl-1,4-diazabicyclo[2.2.2]oct-5-en-2-yl)methanamine
CID 68482018
1-Ethyl-2-methylidene-4-propan-2-ylpiperazine
CID 89321143
2,4,6-Trimethyl-1-prop-1-en-2-ylpiperazine
CID 129029327
1-Prop-1-en-2-yl-4-propylpiperazine
CID 134423602
N,N-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)but-1-en-2-amine
CID 135199962

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine (CID 177181586) is ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine is C=C(C)N(C)CCCN1CCN(CCCN(CC)C(C)C)CC1.CC.
What is the InChIKey of ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is BSPQAHKYIHKRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4.C2H6/c1-7-23(19(4)5)13-9-12-22-16-14-21(15-17-22)11-8-10-20(6)18(2)3;1-2/h19H,2,7-17H2,1,3-6H3;1-2H3.
What are the key properties of ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine?
ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 354.63 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 177181586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).