5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine

C15H33N3 — CID 65254432

IUPAC5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
SMILESCCC(C)N1CCN(CCCC(C)(C)CN)CC1
InChIInChI=1S/C15H33N3/c1-5-14(2)18-11-9-17(10-12-18)8-6-7-15(3,4)13-16/h14H,5-13,16H2,1-4H3
InChIKeyQEBCCSUMQKXPAB-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds7

About 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine

5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine (PubChem CID 65254432) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
PubChem CID65254432
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
SMILESCCC(C)N1CCN(CCCC(C)(C)CN)CC1
InChIInChI=1S/C15H33N3/c1-5-14(2)18-11-9-17(10-12-18)8-6-7-15(3,4)13-16/h14H,5-13,16H2,1-4H3
InChIKeyQEBCCSUMQKXPAB-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
CID 65254132
4-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid
CID 65248291
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine
CID 62774211
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine (CID 65254432) is 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine is CCC(C)N1CCN(CCCC(C)(C)CN)CC1.
What is the InChIKey of 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine?
The InChIKey is QEBCCSUMQKXPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-14(2)18-11-9-17(10-12-18)8-6-7-15(3,4)13-16/h14H,5-13,16H2,1-4H3.
What are the key properties of 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine?
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65254432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).