4-methyl-N-octylpiperazin-1-amine

C13H29N3 — CID 83010569

IUPAC4-methyl-N-octylpiperazin-1-amine
SMILESCCCCCCCCNN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-3-4-5-6-7-8-9-14-16-12-10-15(2)11-13-16/h14H,3-13H2,1-2H3
InChIKeyZFXRPGLZRISSCJ-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.10
Rot. Bonds8

About 4-methyl-N-octylpiperazin-1-amine

4-methyl-N-octylpiperazin-1-amine (PubChem CID 83010569) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-methyl-N-octylpiperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-octylpiperazin-1-amine
PubChem CID83010569
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-methyl-N-octylpiperazin-1-amine
SMILESCCCCCCCCNN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-3-4-5-6-7-8-9-14-16-12-10-15(2)11-13-16/h14H,3-13H2,1-2H3
InChIKeyZFXRPGLZRISSCJ-UHFFFAOYSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.10
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

N-octylaziridin-1-amine
CID 175164558
N-octadecylaziridin-1-amine
CID 56627527
N-icosylpyrrolidin-1-amine
CID 23212585
4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
CID 175591304
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
N-pentadecylpiperazin-1-amine
CID 11690308
N,N'-bis(aziridin-1-yl)butane-1,4-diamine
CID 19966835
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate
CID 118924385
2-[(4-methylpiperazin-1-yl)amino]ethanethiol
CID 57053298
4-methyl-N-nonan-2-ylpiperazin-1-amine
CID 83009221
methyl 4-[(4-methylpiperazin-1-yl)amino]butanoate
CID 83020824

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octylpiperazin-1-amine?
The IUPAC name of 4-methyl-N-octylpiperazin-1-amine (CID 83010569) is 4-methyl-N-octylpiperazin-1-amine.
What is the SMILES notation for 4-methyl-N-octylpiperazin-1-amine?
The canonical SMILES for 4-methyl-N-octylpiperazin-1-amine is CCCCCCCCNN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-octylpiperazin-1-amine?
The InChIKey is ZFXRPGLZRISSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-4-5-6-7-8-9-14-16-12-10-15(2)11-13-16/h14H,3-13H2,1-2H3.
What are the key properties of 4-methyl-N-octylpiperazin-1-amine?
4-methyl-N-octylpiperazin-1-amine has a molecular weight of 227.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octylpiperazin-1-amine is sourced from PubChem (CID 83010569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).