2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine

C14H31N3 — CID 81079096

IUPAC2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-4-14(11-15)5-6-16-7-9-17(10-8-16)12-13(2)3/h13-14H,4-12,15H2,1-3H3
InChIKeyJIKAFNJTPHGHRD-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.63
Rot. Bonds7

About 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine

2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine (PubChem CID 81079096) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
PubChem CID81079096
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-4-14(11-15)5-6-16-7-9-17(10-8-16)12-13(2)3/h13-14H,4-12,15H2,1-3H3
InChIKeyJIKAFNJTPHGHRD-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-morpholin-4-ylbutan-1-amine
CID 81080457
2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine
CID 68736626
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
2-ethyl-4-(4-methoxypiperidin-1-yl)butan-1-amine
CID 81079775
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-[4-(3-methylbutyl)piperazin-1-yl]butan-2-ol
CID 58721625
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-amine
CID 81084496
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine
CID 116991274

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine (CID 81079096) is 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine is CCC(CN)CCN1CCN(CC(C)C)CC1.
What is the InChIKey of 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The InChIKey is JIKAFNJTPHGHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-14(11-15)5-6-16-7-9-17(10-8-16)12-13(2)3/h13-14H,4-12,15H2,1-3H3.
What are the key properties of 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 81079096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).