cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine

C15H29N3 — CID 106653847

IUPACcycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(C(N)C2=CCCCCCC2)C1
InChIInChI=1S/C15H29N3/c1-17-10-11-18(2)14(12-17)15(16)13-8-6-4-3-5-7-9-13/h8,14-15H,3-7,9-12,16H2,1-2H3
InChIKeySYJQBOPIUHPTRM-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.84
Rot. Bonds2

About cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine

cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 106653847) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Namecycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID106653847
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Namecycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(C(N)C2=CCCCCCC2)C1
InChIInChI=1S/C15H29N3/c1-17-10-11-18(2)14(12-17)15(16)13-8-6-4-3-5-7-9-13/h8,14-15H,3-7,9-12,16H2,1-2H3
InChIKeySYJQBOPIUHPTRM-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 106653848
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106654174
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
cyclohepten-1-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanamine
CID 106653933
[1-(cyclohexen-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 106649426
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 106654179
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
CID 79659584
[cycloocten-1-yl-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 106649233

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine (CID 106653847) is cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine is CN1CCN(C)C(C(N)C2=CCCCCCC2)C1.
What is the InChIKey of cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is SYJQBOPIUHPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-17-10-11-18(2)14(12-17)15(16)13-8-6-4-3-5-7-9-13/h8,14-15H,3-7,9-12,16H2,1-2H3.
What are the key properties of cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine?
cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 106653847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).