N'-henicosylethane-1,2-diamine

C23H50N2 — CID 22930907

IUPACN'-henicosylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCNCCN
InChIInChI=1S/C23H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24/h25H,2-24H2,1H3
InChIKeyWZIODGRDWCJCOT-UHFFFAOYSA-N
MW354.67 g/mol
LogP6.97
Rot. Bonds22

About N'-henicosylethane-1,2-diamine

N'-henicosylethane-1,2-diamine (PubChem CID 22930907) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is N'-henicosylethane-1,2-diamine.

Molecular Properties

Compound NameN'-henicosylethane-1,2-diamine
PubChem CID22930907
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC NameN'-henicosylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCNCCN
InChIInChI=1S/C23H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24/h25H,2-24H2,1H3
InChIKeyWZIODGRDWCJCOT-UHFFFAOYSA-N
XLogP6.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.97
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'-docosylethane-1,2-diamine
CID 18783196
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'-dodecylheptane-1,7-diamine
CID 122537296
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-pentyltridecane-1,13-diamine
CID 174397381
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'-henicosylethane-1,2-diamine?
The IUPAC name of N'-henicosylethane-1,2-diamine (CID 22930907) is N'-henicosylethane-1,2-diamine.
What is the SMILES notation for N'-henicosylethane-1,2-diamine?
The canonical SMILES for N'-henicosylethane-1,2-diamine is CCCCCCCCCCCCCCCCCCCCCNCCN.
What is the InChIKey of N'-henicosylethane-1,2-diamine?
The InChIKey is WZIODGRDWCJCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24/h25H,2-24H2,1H3.
What are the key properties of N'-henicosylethane-1,2-diamine?
N'-henicosylethane-1,2-diamine has a molecular weight of 354.67 g/mol, XLogP of 6.97, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-henicosylethane-1,2-diamine is sourced from PubChem (CID 22930907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).