N'-docosylethane-1,2-diamine

C24H52N2 — CID 18783196

IUPACN'-docosylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCNCCN
InChIInChI=1S/C24H52N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-24-22-25/h26H,2-25H2,1H3
InChIKeyNSNBAALNSYOBGJ-UHFFFAOYSA-N
MW368.69 g/mol
LogP7.36
Rot. Bonds23

About N'-docosylethane-1,2-diamine

N'-docosylethane-1,2-diamine (PubChem CID 18783196) has the molecular formula C24H52N2 and a molecular weight of 368.69 g/mol. Its IUPAC name is N'-docosylethane-1,2-diamine.

Molecular Properties

Compound NameN'-docosylethane-1,2-diamine
PubChem CID18783196
Molecular FormulaC24H52N2
Molecular Weight368.69 g/mol
Exact Mass368.41
IUPAC NameN'-docosylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCNCCN
InChIInChI=1S/C24H52N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-24-22-25/h26H,2-25H2,1H3
InChIKeyNSNBAALNSYOBGJ-UHFFFAOYSA-N
XLogP7.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-henicosylethane-1,2-diamine
CID 22930907
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N-hexylhexan-1-amine;methanamine
CID 22649908
N-undecyltetradecan-1-amine
CID 166059375

Frequently Asked Questions

What is the IUPAC name of N'-docosylethane-1,2-diamine?
The IUPAC name of N'-docosylethane-1,2-diamine (CID 18783196) is N'-docosylethane-1,2-diamine.
What is the SMILES notation for N'-docosylethane-1,2-diamine?
The canonical SMILES for N'-docosylethane-1,2-diamine is CCCCCCCCCCCCCCCCCCCCCCNCCN.
What is the InChIKey of N'-docosylethane-1,2-diamine?
The InChIKey is NSNBAALNSYOBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-24-22-25/h26H,2-25H2,1H3.
What are the key properties of N'-docosylethane-1,2-diamine?
N'-docosylethane-1,2-diamine has a molecular weight of 368.69 g/mol, XLogP of 7.36, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-docosylethane-1,2-diamine is sourced from PubChem (CID 18783196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).