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

C17H33N3 — CID 106654179

IUPAC1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)C1=CCCCCC1
InChIInChI=1S/C17H33N3/c1-4-18-17(15-9-7-5-6-8-10-15)13-16-14-19(2)11-12-20(16)3/h9,16-18H,4-8,10-14H2,1-3H3
InChIKeyNGBSVQJXWFYYKF-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.49
Rot. Bonds5

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

1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (PubChem CID 106654179) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
PubChem CID106654179
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)C1=CCCCCC1
InChIInChI=1S/C17H33N3/c1-4-18-17(15-9-7-5-6-8-10-15)13-16-14-19(2)11-12-20(16)3/h9,16-18H,4-8,10-14H2,1-3H3
InChIKeyNGBSVQJXWFYYKF-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.49
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)ethanamine
CID 106654174
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
1-(cyclohepten-1-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 106657086
2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115415525
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
CID 115415424
1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 106653848
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (CID 106654179) is 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is CCNC(CC1CN(C)CCN1C)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The InChIKey is NGBSVQJXWFYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-18-17(15-9-7-5-6-8-10-15)13-16-14-19(2)11-12-20(16)3/h9,16-18H,4-8,10-14H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine has a molecular weight of 279.47 g/mol, XLogP of 2.49, 5 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)-N-ethylethanamine is sourced from PubChem (CID 106654179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).