4-(2-aminoethyl)-N-tridecylpiperazin-1-amine

C19H42N4 — CID 175591304

IUPAC4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
SMILESCCCCCCCCCCCCCNN1CCN(CCN)CC1
InChIInChI=1S/C19H42N4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-23-18-16-22(15-13-20)17-19-23/h21H,2-20H2,1H3
InChIKeyYCODTQRGBSXNKN-UHFFFAOYSA-N
MW326.57 g/mol
LogP3.38
Rot. Bonds15

About 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine

4-(2-aminoethyl)-N-tridecylpiperazin-1-amine (PubChem CID 175591304) has the molecular formula C19H42N4 and a molecular weight of 326.57 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
PubChem CID175591304
Molecular FormulaC19H42N4
Molecular Weight326.57 g/mol
Exact Mass326.34
IUPAC Name4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
SMILESCCCCCCCCCCCCCNN1CCN(CCN)CC1
InChIInChI=1S/C19H42N4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-23-18-16-22(15-13-20)17-19-23/h21H,2-20H2,1H3
InChIKeyYCODTQRGBSXNKN-UHFFFAOYSA-N
XLogP3.38
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
4-methyl-N-octylpiperazin-1-amine
CID 83010569
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
N-icosylpyrrolidin-1-amine
CID 23212585
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
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
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine?
The IUPAC name of 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine (CID 175591304) is 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine is CCCCCCCCCCCCCNN1CCN(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine?
The InChIKey is YCODTQRGBSXNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-23-18-16-22(15-13-20)17-19-23/h21H,2-20H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine?
4-(2-aminoethyl)-N-tridecylpiperazin-1-amine has a molecular weight of 326.57 g/mol, XLogP of 3.38, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-tridecylpiperazin-1-amine is sourced from PubChem (CID 175591304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).