5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine

C16H33N3 — CID 79860206

IUPAC5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(N2CCN(C(C)(C)C)CC2)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-15(2,3)19-11-9-18(10-12-19)13-7-8-16(4,5)14(13)17-6/h13-14,17H,7-12H2,1-6H3
InChIKeyNIXVJWNCTVCGDJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds2

About 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine

5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79860206) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79860206
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(N2CCN(C(C)(C)C)CC2)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-15(2,3)19-11-9-18(10-12-19)13-7-8-16(4,5)14(13)17-6/h13-14,17H,7-12H2,1-6H3
InChIKeyNIXVJWNCTVCGDJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine (CID 79860206) is 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine is CNC1C(N2CCN(C(C)(C)C)CC2)CCC1(C)C.
What is the InChIKey of 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is NIXVJWNCTVCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-15(2,3)19-11-9-18(10-12-19)13-7-8-16(4,5)14(13)17-6/h13-14,17H,7-12H2,1-6H3.
What are the key properties of 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79860206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).