(1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine

C12H23N3 — CID 58544006

IUPAC(1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine
SMILESCN[C@H]1CC=C[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C12H23N3/c1-13-11-4-3-5-12(10-11)15-8-6-14(2)7-9-15/h3,5,11-13H,4,6-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyBEUHQLXSOAINHI-NWDGAFQWSA-N
MW209.34 g/mol
LogP0.54
Rot. Bonds2

About (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine

(1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine (PubChem CID 58544006) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine
PubChem CID58544006
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine
SMILESCN[C@H]1CC=C[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C12H23N3/c1-13-11-4-3-5-12(10-11)15-8-6-14(2)7-9-15/h3,5,11-13H,4,6-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyBEUHQLXSOAINHI-NWDGAFQWSA-N
XLogP0.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine?
The IUPAC name of (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine (CID 58544006) is (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine?
The canonical SMILES for (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine is CN[C@H]1CC=C[C@@H](N2CCN(C)CC2)C1.
What is the InChIKey of (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine?
The InChIKey is BEUHQLXSOAINHI-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-11-4-3-5-12(10-11)15-8-6-14(2)7-9-15/h3,5,11-13H,4,6-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine?
(1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 58544006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).