ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

C17H39N3 — CID 142573783

IUPACethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCC.CCN(CCCN1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C15H33N3.C2H6/c1-6-17(14(2)3)9-7-8-16-10-12-18(13-11-16)15(4)5;1-2/h14-15H,6-13H2,1-5H3;1-2H3
InChIKeyHZGYHIAJDDUSHI-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.16
Rot. Bonds7

About ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 142573783) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID142573783
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Nameethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCC.CCN(CCCN1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C15H33N3.C2H6/c1-6-17(14(2)3)9-7-8-16-10-12-18(13-11-16)15(4)5;1-2/h14-15H,6-13H2,1-5H3;1-2H3
InChIKeyHZGYHIAJDDUSHI-UHFFFAOYSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine with MolForge

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Related Compounds

1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
1-(8-methyldecyl)-4-propan-2-ylpiperazine
CID 171838375
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
CID 157204487

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (CID 142573783) is ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is CC.CCN(CCCN1CCN(C(C)C)CC1)C(C)C.
What is the InChIKey of ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is HZGYHIAJDDUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3.C2H6/c1-6-17(14(2)3)9-7-8-16-10-12-18(13-11-16)15(4)5;1-2/h14-15H,6-13H2,1-5H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 142573783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).