1-(3,3-dimethylnonyl)-4-methylpiperazine

C16H34N2 — CID 130279458

IUPAC1-(3,3-dimethylnonyl)-4-methylpiperazine
SMILESCCCCCCC(C)(C)CCN1CCN(C)CC1
InChIInChI=1S/C16H34N2/c1-5-6-7-8-9-16(2,3)10-11-18-14-12-17(4)13-15-18/h5-15H2,1-4H3
InChIKeyUBSMUGAAEJJEMW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.62
Rot. Bonds8

About 1-(3,3-dimethylnonyl)-4-methylpiperazine

1-(3,3-dimethylnonyl)-4-methylpiperazine (PubChem CID 130279458) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(3,3-dimethylnonyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylnonyl)-4-methylpiperazine
PubChem CID130279458
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(3,3-dimethylnonyl)-4-methylpiperazine
SMILESCCCCCCC(C)(C)CCN1CCN(C)CC1
InChIInChI=1S/C16H34N2/c1-5-6-7-8-9-16(2,3)10-11-18-14-12-17(4)13-15-18/h5-15H2,1-4H3
InChIKeyUBSMUGAAEJJEMW-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethyloctyl)-4-methylpiperazine
CID 167019238
4-(3,3-dimethylnonyl)thiomorpholine
CID 134441568
1-(2-butyl-2-methyloctyl)-4-methylpiperazine
CID 166898824
1-(2-ethyl-2-methylnonyl)-4-methylpiperazine
CID 155044538
16,16,21,21-tetramethylhexatriacontane
CID 174880889
acetylene;1-methyl-4-octylpiperazine
CID 144712197
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylnonyl)-4-methylpiperazine?
The IUPAC name of 1-(3,3-dimethylnonyl)-4-methylpiperazine (CID 130279458) is 1-(3,3-dimethylnonyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylnonyl)-4-methylpiperazine?
The canonical SMILES for 1-(3,3-dimethylnonyl)-4-methylpiperazine is CCCCCCC(C)(C)CCN1CCN(C)CC1.
What is the InChIKey of 1-(3,3-dimethylnonyl)-4-methylpiperazine?
The InChIKey is UBSMUGAAEJJEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-6-7-8-9-16(2,3)10-11-18-14-12-17(4)13-15-18/h5-15H2,1-4H3.
What are the key properties of 1-(3,3-dimethylnonyl)-4-methylpiperazine?
1-(3,3-dimethylnonyl)-4-methylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylnonyl)-4-methylpiperazine is sourced from PubChem (CID 130279458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).