N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine

C16H31N3 — CID 106653850

IUPACN-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCCC1)C1CN(C)CCN1C
InChIInChI=1S/C16H31N3/c1-4-17-16(14-9-7-5-6-8-10-14)15-13-18(2)11-12-19(15)3/h9,15-17H,4-8,10-13H2,1-3H3
InChIKeyFQDLSXYBRNRWPW-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.10
Rot. Bonds4

About N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine

N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine (PubChem CID 106653850) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
PubChem CID106653850
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCCC1)C1CN(C)CCN1C
InChIInChI=1S/C16H31N3/c1-4-17-16(14-9-7-5-6-8-10-14)15-13-18(2)11-12-19(15)3/h9,15-17H,4-8,10-13H2,1-3H3
InChIKeyFQDLSXYBRNRWPW-UHFFFAOYSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-N-ethylethanamine
CID 106654179
cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
CID 106653847
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477455
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106654174
N-[cyclohepten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 106657058
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
[1-(cyclohexen-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 106649426
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine (CID 106653850) is N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine is CCNC(C1=CCCCCC1)C1CN(C)CCN1C.
What is the InChIKey of N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is FQDLSXYBRNRWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-17-16(14-9-7-5-6-8-10-14)15-13-18(2)11-12-19(15)3/h9,15-17H,4-8,10-13H2,1-3H3.
What are the key properties of N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 265.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 106653850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).