4-methyl-N-nonan-2-ylpiperazin-1-amine

C14H31N3 — CID 83009221

IUPAC4-methyl-N-nonan-2-ylpiperazin-1-amine
SMILESCCCCCCCC(C)NN1CCN(C)CC1
InChIInChI=1S/C14H31N3/c1-4-5-6-7-8-9-14(2)15-17-12-10-16(3)11-13-17/h14-15H,4-13H2,1-3H3
InChIKeyVHSZLHWTMMYNQA-UHFFFAOYSA-N
MW241.42 g/mol
LogP2.49
Rot. Bonds8

About 4-methyl-N-nonan-2-ylpiperazin-1-amine

4-methyl-N-nonan-2-ylpiperazin-1-amine (PubChem CID 83009221) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-methyl-N-nonan-2-ylpiperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-nonan-2-ylpiperazin-1-amine
PubChem CID83009221
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-methyl-N-nonan-2-ylpiperazin-1-amine
SMILESCCCCCCCC(C)NN1CCN(C)CC1
InChIInChI=1S/C14H31N3/c1-4-5-6-7-8-9-14(2)15-17-12-10-16(3)11-13-17/h14-15H,4-13H2,1-3H3
InChIKeyVHSZLHWTMMYNQA-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
4-methyl-N-(4-methylpentan-2-yl)piperazin-1-amine
CID 83010481
4-methyl-N-octylpiperazin-1-amine
CID 83010569
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-octan-2-ylguanidine
CID 111212869
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-methyltetradecan-2-amine
CID 54073704
1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
1-(4-methylpiperazin-1-yl)hexan-1-ol
CID 68991789

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-nonan-2-ylpiperazin-1-amine?
The IUPAC name of 4-methyl-N-nonan-2-ylpiperazin-1-amine (CID 83009221) is 4-methyl-N-nonan-2-ylpiperazin-1-amine.
What is the SMILES notation for 4-methyl-N-nonan-2-ylpiperazin-1-amine?
The canonical SMILES for 4-methyl-N-nonan-2-ylpiperazin-1-amine is CCCCCCCC(C)NN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-nonan-2-ylpiperazin-1-amine?
The InChIKey is VHSZLHWTMMYNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-5-6-7-8-9-14(2)15-17-12-10-16(3)11-13-17/h14-15H,4-13H2,1-3H3.
What are the key properties of 4-methyl-N-nonan-2-ylpiperazin-1-amine?
4-methyl-N-nonan-2-ylpiperazin-1-amine has a molecular weight of 241.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-nonan-2-ylpiperazin-1-amine is sourced from PubChem (CID 83009221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).