N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine

C22H49N3 — CID 58260221

IUPACN-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
SMILESCCNCCCCCCCCCNCCCCCCCCCNCC
InChIInChI=1S/C22H49N3/c1-3-23-19-15-11-7-5-9-13-17-21-25-22-18-14-10-6-8-12-16-20-24-4-2/h23-25H,3-22H2,1-2H3
InChIKeyWFCFFBHNZGJKGD-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.26
Rot. Bonds22

About N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine

N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine (PubChem CID 58260221) has the molecular formula C22H49N3 and a molecular weight of 355.66 g/mol. Its IUPAC name is N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
PubChem CID58260221
Molecular FormulaC22H49N3
Molecular Weight355.66 g/mol
Exact Mass355.39
IUPAC NameN-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
SMILESCCNCCCCCCCCCNCCCCCCCCCNCC
InChIInChI=1S/C22H49N3/c1-3-23-19-15-11-7-5-9-13-17-21-25-22-18-14-10-6-8-12-16-20-24-4-2/h23-25H,3-22H2,1-2H3
InChIKeyWFCFFBHNZGJKGD-UHFFFAOYSA-N
XLogP5.26
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
ethane;N-ethylhexan-1-amine
CID 143229911
N-ethyl-7-iodoheptan-1-amine
CID 152937325

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine?
The IUPAC name of N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine (CID 58260221) is N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine.
What is the SMILES notation for N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine?
The canonical SMILES for N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine is CCNCCCCCCCCCNCCCCCCCCCNCC.
What is the InChIKey of N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine?
The InChIKey is WFCFFBHNZGJKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N3/c1-3-23-19-15-11-7-5-9-13-17-21-25-22-18-14-10-6-8-12-16-20-24-4-2/h23-25H,3-22H2,1-2H3.
What are the key properties of N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine?
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine has a molecular weight of 355.66 g/mol, XLogP of 5.26, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine is sourced from PubChem (CID 58260221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).