N-pentadecylpiperazin-1-amine

C19H41N3 — CID 11690308

IUPACN-pentadecylpiperazin-1-amine
SMILESCCCCCCCCCCCCCCCNN1CCNCC1
InChIInChI=1S/C19H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-22-18-16-20-17-19-22/h20-21H,2-19H2,1H3
InChIKeyMRHGZSQLKPSGOP-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.49
Rot. Bonds15

About N-pentadecylpiperazin-1-amine

N-pentadecylpiperazin-1-amine (PubChem CID 11690308) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is N-pentadecylpiperazin-1-amine.

Molecular Properties

Compound NameN-pentadecylpiperazin-1-amine
PubChem CID11690308
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC NameN-pentadecylpiperazin-1-amine
SMILESCCCCCCCCCCCCCCCNN1CCNCC1
InChIInChI=1S/C19H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-22-18-16-20-17-19-22/h20-21H,2-19H2,1H3
InChIKeyMRHGZSQLKPSGOP-UHFFFAOYSA-N
XLogP4.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 54.49
H-Bond Donors ≤ 52
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-methyl-N-octylpiperazin-1-amine
CID 83010569
N-(3-silylpropyl)piperazin-1-amine
CID 175392784
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
1-N-docosylpiperazine-1,2-diamine
CID 91098559

Frequently Asked Questions

What is the IUPAC name of N-pentadecylpiperazin-1-amine?
The IUPAC name of N-pentadecylpiperazin-1-amine (CID 11690308) is N-pentadecylpiperazin-1-amine.
What is the SMILES notation for N-pentadecylpiperazin-1-amine?
The canonical SMILES for N-pentadecylpiperazin-1-amine is CCCCCCCCCCCCCCCNN1CCNCC1.
What is the InChIKey of N-pentadecylpiperazin-1-amine?
The InChIKey is MRHGZSQLKPSGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-22-18-16-20-17-19-22/h20-21H,2-19H2,1H3.
What are the key properties of N-pentadecylpiperazin-1-amine?
N-pentadecylpiperazin-1-amine has a molecular weight of 311.56 g/mol, XLogP of 4.49, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentadecylpiperazin-1-amine is sourced from PubChem (CID 11690308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).