1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine

C15H29N3 — CID 106654174

IUPAC1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCN1CCN(C)C(CC(N)C2=CCCCCC2)C1
InChIInChI=1S/C15H29N3/c1-17-9-10-18(2)14(12-17)11-15(16)13-7-5-3-4-6-8-13/h7,14-15H,3-6,8-12,16H2,1-2H3
InChIKeyKLMLGNXZGJPKJX-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.84
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine

1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine (PubChem CID 106654174) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
PubChem CID106654174
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCN1CCN(C)C(CC(N)C2=CCCCCC2)C1
InChIInChI=1S/C15H29N3/c1-17-9-10-18(2)14(12-17)11-15(16)13-7-5-3-4-6-8-13/h7,14-15H,3-6,8-12,16H2,1-2H3
InChIKeyKLMLGNXZGJPKJX-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 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 ≤ 51.84
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-(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
cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
CID 106653847
1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 106653848
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(4-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 116506406
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106762883

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine (CID 106654174) is 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine is CN1CCN(C)C(CC(N)C2=CCCCCC2)C1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The InChIKey is KLMLGNXZGJPKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-17-9-10-18(2)14(12-17)11-15(16)13-7-5-3-4-6-8-13/h7,14-15H,3-6,8-12,16H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine has a molecular weight of 251.42 g/mol, XLogP of 1.84, 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)-2-(1,4-dimethylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 106654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).