(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine

C12H25N3 — CID 70920710

IUPAC(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
SMILESCNC1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C12H25N3/c1-13-11-4-3-5-12(10-11)15-8-6-14(2)7-9-15/h11-13H,3-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyMGFVMLUPQWORFO-PIJUOVFKSA-N
MW211.35 g/mol
LogP0.76
Rot. Bonds2

About (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine

(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 70920710) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID70920710
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
SMILESCNC1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C12H25N3/c1-13-11-4-3-5-12(10-11)15-8-6-14(2)7-9-15/h11-13H,3-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyMGFVMLUPQWORFO-PIJUOVFKSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine (CID 70920710) is (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine is CNC1CCC[C@@H](N2CCN(C)CC2)C1.
What is the InChIKey of (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is MGFVMLUPQWORFO-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H25N3/c1-13-11-4-3-5-12(10-11)15-8-6-14(2)7-9-15/h11-13H,3-10H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine?
(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 70920710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).