4-(4-methylpiperazin-1-yl)cyclohexen-1-amine

C11H21N3 — CID 89473970

IUPAC4-(4-methylpiperazin-1-yl)cyclohexen-1-amine
SMILESCN1CCN(C2CC=C(N)CC2)CC1
InChIInChI=1S/C11H21N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2,11H,3-9,12H2,1H3
InChIKeyQFKLJGWSYNCXEA-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.63
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine

4-(4-methylpiperazin-1-yl)cyclohexen-1-amine (PubChem CID 89473970) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)cyclohexen-1-amine
PubChem CID89473970
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(4-methylpiperazin-1-yl)cyclohexen-1-amine
SMILESCN1CCN(C2CC=C(N)CC2)CC1
InChIInChI=1S/C11H21N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2,11H,3-9,12H2,1H3
InChIKeyQFKLJGWSYNCXEA-UHFFFAOYSA-N
XLogP0.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine (CID 89473970) is 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine is CN1CCN(C2CC=C(N)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine?
The InChIKey is QFKLJGWSYNCXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2,11H,3-9,12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine?
4-(4-methylpiperazin-1-yl)cyclohexen-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)cyclohexen-1-amine is sourced from PubChem (CID 89473970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).