N-ethylicosa-5,7-diyn-1-amine

C22H39N — CID 87662527

IUPACN-ethylicosa-5,7-diyn-1-amine
SMILESCCCCCCCCCCCCC#CC#CCCCCNCC
InChIInChI=1S/C22H39N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h23H,3-14,19-22H2,1-2H3
InChIKeyREDOMLFXZXTGCG-UHFFFAOYSA-N
MW317.56 g/mol
LogP6.08
Rot. Bonds15

About N-ethylicosa-5,7-diyn-1-amine

N-ethylicosa-5,7-diyn-1-amine (PubChem CID 87662527) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is N-ethylicosa-5,7-diyn-1-amine.

Molecular Properties

Compound NameN-ethylicosa-5,7-diyn-1-amine
PubChem CID87662527
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC NameN-ethylicosa-5,7-diyn-1-amine
SMILESCCCCCCCCCCCCC#CC#CCCCCNCC
InChIInChI=1S/C22H39N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h23H,3-14,19-22H2,1-2H3
InChIKeyREDOMLFXZXTGCG-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
ethane;N-ethylhexan-1-amine
CID 143229911
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
lithium;N-ethylhexan-1-amine;hydride
CID 174419930
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-diethylpentane-1,5-diamine
CID 15013244

Frequently Asked Questions

What is the IUPAC name of N-ethylicosa-5,7-diyn-1-amine?
The IUPAC name of N-ethylicosa-5,7-diyn-1-amine (CID 87662527) is N-ethylicosa-5,7-diyn-1-amine.
What is the SMILES notation for N-ethylicosa-5,7-diyn-1-amine?
The canonical SMILES for N-ethylicosa-5,7-diyn-1-amine is CCCCCCCCCCCCC#CC#CCCCCNCC.
What is the InChIKey of N-ethylicosa-5,7-diyn-1-amine?
The InChIKey is REDOMLFXZXTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h23H,3-14,19-22H2,1-2H3.
What are the key properties of N-ethylicosa-5,7-diyn-1-amine?
N-ethylicosa-5,7-diyn-1-amine has a molecular weight of 317.56 g/mol, XLogP of 6.08, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylicosa-5,7-diyn-1-amine is sourced from PubChem (CID 87662527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).