N-icosylpyrrolidin-1-amine

C24H50N2 — CID 23212585

IUPACN-icosylpyrrolidin-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCNN1CCCC1
InChIInChI=1S/C24H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-26-23-20-21-24-26/h25H,2-24H2,1H3
InChIKeyDVZUJYAHIJCAQX-UHFFFAOYSA-N
MW366.68 g/mol
LogP7.63
Rot. Bonds20

About N-icosylpyrrolidin-1-amine

N-icosylpyrrolidin-1-amine (PubChem CID 23212585) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is N-icosylpyrrolidin-1-amine.

Molecular Properties

Compound NameN-icosylpyrrolidin-1-amine
PubChem CID23212585
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC NameN-icosylpyrrolidin-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCNN1CCCC1
InChIInChI=1S/C24H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-26-23-20-21-24-26/h25H,2-24H2,1H3
InChIKeyDVZUJYAHIJCAQX-UHFFFAOYSA-N
XLogP7.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
N-pentadecylpiperazin-1-amine
CID 11690308
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
N-propylpiperidin-1-amine
CID 18419402
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
2-methyl-N-octyldiazinan-1-amine
CID 118516875
4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
CID 175591304
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N-octylpyrrol-1-amine
CID 69416123
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608

Frequently Asked Questions

What is the IUPAC name of N-icosylpyrrolidin-1-amine?
The IUPAC name of N-icosylpyrrolidin-1-amine (CID 23212585) is N-icosylpyrrolidin-1-amine.
What is the SMILES notation for N-icosylpyrrolidin-1-amine?
The canonical SMILES for N-icosylpyrrolidin-1-amine is CCCCCCCCCCCCCCCCCCCCNN1CCCC1.
What is the InChIKey of N-icosylpyrrolidin-1-amine?
The InChIKey is DVZUJYAHIJCAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-26-23-20-21-24-26/h25H,2-24H2,1H3.
What are the key properties of N-icosylpyrrolidin-1-amine?
N-icosylpyrrolidin-1-amine has a molecular weight of 366.68 g/mol, XLogP of 7.63, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-icosylpyrrolidin-1-amine is sourced from PubChem (CID 23212585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).