2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine

C14H31N3 — CID 62774211

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)N1CCN(C(C)CC)CC1
InChIInChI=1S/C14H31N3/c1-5-7-14(4,12-15)17-10-8-16(9-11-17)13(3)6-2/h13H,5-12,15H2,1-4H3
InChIKeyJKRCDCODLZUTTH-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.92
Rot. Bonds6

About 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine (PubChem CID 62774211) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine
PubChem CID62774211
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)N1CCN(C(C)CC)CC1
InChIInChI=1S/C14H31N3/c1-5-7-14(4,12-15)17-10-8-16(9-11-17)13(3)6-2/h13H,5-12,15H2,1-4H3
InChIKeyJKRCDCODLZUTTH-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535281
2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181007
2-methyl-2-morpholin-4-ylpentan-1-amine
CID 24706216
1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine
CID 70907870
2-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-amine
CID 63157057
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-1-amine
CID 62885409
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine (CID 62774211) is 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine is CCCC(C)(CN)N1CCN(C(C)CC)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine?
The InChIKey is JKRCDCODLZUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-7-14(4,12-15)17-10-8-16(9-11-17)13(3)6-2/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 62774211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).