4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine

C20H44N4 — CID 129101606

IUPAC4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C)(C)CCN1CCN(CC(C)(C)NC(C)(C)C)CC1
InChIInChI=1S/C20H44N4/c1-17(2)21-19(6,7)10-11-23-12-14-24(15-13-23)16-20(8,9)22-18(3,4)5/h17,21-22H,10-16H2,1-9H3
InChIKeyJMBARQMUWJZDFW-UHFFFAOYSA-N
MW340.60 g/mol
LogP2.94
Rot. Bonds8

About 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine

4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 129101606) has the molecular formula C20H44N4 and a molecular weight of 340.60 g/mol. Its IUPAC name is 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine
PubChem CID129101606
Molecular FormulaC20H44N4
Molecular Weight340.60 g/mol
Exact Mass340.36
IUPAC Name4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C)(C)CCN1CCN(CC(C)(C)NC(C)(C)C)CC1
InChIInChI=1S/C20H44N4/c1-17(2)21-19(6,7)10-11-23-12-14-24(15-13-23)16-20(8,9)22-18(3,4)5/h17,21-22H,10-16H2,1-9H3
InChIKeyJMBARQMUWJZDFW-UHFFFAOYSA-N
XLogP2.94
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine (CID 129101606) is 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine is CC(C)NC(C)(C)CCN1CCN(CC(C)(C)NC(C)(C)C)CC1.
What is the InChIKey of 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is JMBARQMUWJZDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N4/c1-17(2)21-19(6,7)10-11-23-12-14-24(15-13-23)16-20(8,9)22-18(3,4)5/h17,21-22H,10-16H2,1-9H3.
What are the key properties of 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine?
4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 340.60 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 129101606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).