N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine

C18H39N3 — CID 114539716

IUPACN-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C18H39N3/c1-9-18(10-2,13-19-17(5,6)7)14-21-11-15(3)20(8)16(4)12-21/h15-16,19H,9-14H2,1-8H3
InChIKeyFYQHGECUOQAFQB-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.21
Rot. Bonds6

About N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine

N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine (PubChem CID 114539716) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine
PubChem CID114539716
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C18H39N3/c1-9-18(10-2,13-19-17(5,6)7)14-21-11-15(3)20(8)16(4)12-21/h15-16,19H,9-14H2,1-8H3
InChIKeyFYQHGECUOQAFQB-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl carbanyl piperazine
CID 18770859
3-Tert-butyl-1-methylpiperazine
CID 45099455
2-Tert-butyl-1-methylpiperazine
CID 64834162
5-Tert-butyl-2,2-diethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64842846
5-Tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64843214
5-Tert-butyl-1-(2,2-difluoroethyl)-2,2-diethylpiperazine
CID 64843389
2-Tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64860446
2-Tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64861217
2-Tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine
CID 64862368
2,2-Diethyl-1-(2-fluoroethyl)-5-methylpiperazine
CID 80695492
5-Tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80696293
5-Tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine
CID 80696294

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine (CID 114539716) is N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine is CCC(CC)(CNC(C)(C)C)CN1CC(C)N(C)C(C)C1.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine?
The InChIKey is FYQHGECUOQAFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-9-18(10-2,13-19-17(5,6)7)14-21-11-15(3)20(8)16(4)12-21/h15-16,19H,9-14H2,1-8H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine?
N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 114539716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).