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

C16H33N3 — CID 55117690

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(N2CCN(C(C)CC)CC2)C1
InChIInChI=1S/C16H33N3/c1-4-13(3)18-8-10-19(11-9-18)16-12-14(5-2)6-7-15(16)17/h13-16H,4-12,17H2,1-3H3
InChIKeyOKFHCURZXQRSCA-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds4

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

2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine (PubChem CID 55117690) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine
PubChem CID55117690
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(N2CCN(C(C)CC)CC2)C1
InChIInChI=1S/C16H33N3/c1-4-13(3)18-8-10-19(11-9-18)16-12-14(5-2)6-7-15(16)17/h13-16H,4-12,17H2,1-3H3
InChIKeyOKFHCURZXQRSCA-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine (CID 55117690) is 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(N2CCN(C(C)CC)CC2)C1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine?
The InChIKey is OKFHCURZXQRSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-13(3)18-8-10-19(11-9-18)16-12-14(5-2)6-7-15(16)17/h13-16H,4-12,17H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 4 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)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 55117690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).