3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine

C16H31N3 — CID 4711926

IUPAC3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NCCN2CCNCC2)CCCC(C)C1
InChIInChI=1S/C16H31N3/c1-3-6-16(7-4-5-15(2)14-16)18-10-13-19-11-8-17-9-12-19/h3,15,17-18H,1,4-14H2,2H3
InChIKeyGOUBHMRBEKWDHA-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.01
Rot. Bonds6

About 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine

3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine (PubChem CID 4711926) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine
PubChem CID4711926
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NCCN2CCNCC2)CCCC(C)C1
InChIInChI=1S/C16H31N3/c1-3-6-16(7-4-5-15(2)14-16)18-10-13-19-11-8-17-9-12-19/h3,15,17-18H,1,4-14H2,2H3
InChIKeyGOUBHMRBEKWDHA-UHFFFAOYSA-N
XLogP2.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
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 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine (CID 4711926) is 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine is C=CCC1(NCCN2CCNCC2)CCCC(C)C1.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine?
The InChIKey is GOUBHMRBEKWDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-6-16(7-4-5-15(2)14-16)18-10-13-19-11-8-17-9-12-19/h3,15,17-18H,1,4-14H2,2H3.
What are the key properties of 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine?
3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 4711926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).