4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

C17H37N3 — CID 64946962

IUPAC4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCC(C)C1CNC(C(C)(C)C)CN1CCCCN(C)C
InChIInChI=1S/C17H37N3/c1-14(2)15-12-18-16(17(3,4)5)13-20(15)11-9-8-10-19(6)7/h14-16,18H,8-13H2,1-7H3
InChIKeyGWECFYJWGBBRSB-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.67
Rot. Bonds6

About 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 64946962) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID64946962
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCC(C)C1CNC(C(C)(C)C)CN1CCCCN(C)C
InChIInChI=1S/C17H37N3/c1-14(2)15-12-18-16(17(3,4)5)13-20(15)11-9-8-10-19(6)7/h14-16,18H,8-13H2,1-7H3
InChIKeyGWECFYJWGBBRSB-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
CID 64933854
3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935199
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421430
2-butan-2-yl-5-tert-butyl-1-propylpiperazine
CID 64841066
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
2-butan-2-yl-5-tert-butyl-1-(2-fluoroethyl)piperazine
CID 80697870

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (CID 64946962) is 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is CC(C)C1CNC(C(C)(C)C)CN1CCCCN(C)C.
What is the InChIKey of 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is GWECFYJWGBBRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-14(2)15-12-18-16(17(3,4)5)13-20(15)11-9-8-10-19(6)7/h14-16,18H,8-13H2,1-7H3.
What are the key properties of 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 64946962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).