1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine

C15H29N3 — CID 106653848

IUPAC1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1CN(C)CCN1C
InChIInChI=1S/C15H29N3/c1-16-15(13-8-6-4-5-7-9-13)14-12-17(2)10-11-18(14)3/h8,14-16H,4-7,9-12H2,1-3H3
InChIKeyKZPHEZWNOUQTFL-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.71
Rot. Bonds3

About 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine

1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine (PubChem CID 106653848) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
PubChem CID106653848
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1CN(C)CCN1C
InChIInChI=1S/C15H29N3/c1-16-15(13-8-6-4-5-7-9-13)14-12-17(2)10-11-18(14)3/h8,14-16H,4-7,9-12H2,1-3H3
InChIKeyKZPHEZWNOUQTFL-UHFFFAOYSA-N
XLogP1.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.71
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

N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
CID 106653847
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106654174
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 106654179
[cycloocten-1-yl-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 106649233
[1-(cyclohexen-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 106649426
1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81099133
1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 106654139
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
1-(cycloocten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 106653223
1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 79659009
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine (CID 106653848) is 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine is CNC(C1=CCCCCC1)C1CN(C)CCN1C.
What is the InChIKey of 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
The InChIKey is KZPHEZWNOUQTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-16-15(13-8-6-4-5-7-9-13)14-12-17(2)10-11-18(14)3/h8,14-16H,4-7,9-12H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine has a molecular weight of 251.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 106653848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).