N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine

C12H23N3 — CID 83009868

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCC2CC=CCC2)CC1
InChIInChI=1S/C12H23N3/c1-14-7-9-15(10-8-14)13-11-12-5-3-2-4-6-12/h2-3,12-13H,4-11H2,1H3
InChIKeyIEWSNLCRRVVLLP-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.09
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine

N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine (PubChem CID 83009868) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine
PubChem CID83009868
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCC2CC=CCC2)CC1
InChIInChI=1S/C12H23N3/c1-14-7-9-15(10-8-14)13-11-12-5-3-2-4-6-12/h2-3,12-13H,4-11H2,1H3
InChIKeyIEWSNLCRRVVLLP-UHFFFAOYSA-N
XLogP1.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.09
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 N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine (CID 83009868) is N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine is CN1CCN(NCC2CC=CCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
The InChIKey is IEWSNLCRRVVLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-7-9-15(10-8-14)13-11-12-5-3-2-4-6-12/h2-3,12-13H,4-11H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).