1-(2-ethyl-2-methylnonyl)-4-methylpiperazine

C17H36N2 — CID 155044538

IUPAC1-(2-ethyl-2-methylnonyl)-4-methylpiperazine
SMILESCCCCCCCC(C)(CC)CN1CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-5-7-8-9-10-11-17(3,6-2)16-19-14-12-18(4)13-15-19/h5-16H2,1-4H3
InChIKeyMVVPENYDDKQKLW-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.01
Rot. Bonds9

About 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine

1-(2-ethyl-2-methylnonyl)-4-methylpiperazine (PubChem CID 155044538) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethyl-2-methylnonyl)-4-methylpiperazine
PubChem CID155044538
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(2-ethyl-2-methylnonyl)-4-methylpiperazine
SMILESCCCCCCCC(C)(CC)CN1CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-5-7-8-9-10-11-17(3,6-2)16-19-14-12-18(4)13-15-19/h5-16H2,1-4H3
InChIKeyMVVPENYDDKQKLW-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine 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-(2-butyl-2-methyloctyl)-4-methylpiperazine
CID 166898824
1-(2,2-dimethyloctyl)-4-methylpiperazine
CID 167019238
1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458
1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine
CID 130346741
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
7-(2-ethyl-2-methylpentyl)-2-[(4-methylpiperazin-1-yl)methyl]-7-azaspiro[3.5]nonane
CID 171656917
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine?
The IUPAC name of 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine (CID 155044538) is 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine is CCCCCCCC(C)(CC)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine?
The InChIKey is MVVPENYDDKQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-7-8-9-10-11-17(3,6-2)16-19-14-12-18(4)13-15-19/h5-16H2,1-4H3.
What are the key properties of 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine?
1-(2-ethyl-2-methylnonyl)-4-methylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-methylnonyl)-4-methylpiperazine is sourced from PubChem (CID 155044538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).