N'-butyl-N-ethylnonane-1,9-diamine

C15H34N2 — CID 138750457

IUPACN'-butyl-N-ethylnonane-1,9-diamine
SMILESCCCCNCCCCCCCCCNCC
InChIInChI=1S/C15H34N2/c1-3-5-13-17-15-12-10-8-6-7-9-11-14-16-4-2/h16-17H,3-15H2,1-2H3
InChIKeyHGIAVGZKROVMCF-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.72
Rot. Bonds14

About N'-butyl-N-ethylnonane-1,9-diamine

N'-butyl-N-ethylnonane-1,9-diamine (PubChem CID 138750457) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-butyl-N-ethylnonane-1,9-diamine.

Molecular Properties

Compound NameN'-butyl-N-ethylnonane-1,9-diamine
PubChem CID138750457
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-butyl-N-ethylnonane-1,9-diamine
SMILESCCCCNCCCCCCCCCNCC
InChIInChI=1S/C15H34N2/c1-3-5-13-17-15-12-10-8-6-7-9-11-14-16-4-2/h16-17H,3-15H2,1-2H3
InChIKeyHGIAVGZKROVMCF-UHFFFAOYSA-N
XLogP3.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.72
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-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'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
ethane;N-ethylhexan-1-amine
CID 143229911
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-butyltetradecan-1-amine
CID 3548872
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-ethylnonane-1,9-diamine?
The IUPAC name of N'-butyl-N-ethylnonane-1,9-diamine (CID 138750457) is N'-butyl-N-ethylnonane-1,9-diamine.
What is the SMILES notation for N'-butyl-N-ethylnonane-1,9-diamine?
The canonical SMILES for N'-butyl-N-ethylnonane-1,9-diamine is CCCCNCCCCCCCCCNCC.
What is the InChIKey of N'-butyl-N-ethylnonane-1,9-diamine?
The InChIKey is HGIAVGZKROVMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-3-5-13-17-15-12-10-8-6-7-9-11-14-16-4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of N'-butyl-N-ethylnonane-1,9-diamine?
N'-butyl-N-ethylnonane-1,9-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.72, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethylnonane-1,9-diamine is sourced from PubChem (CID 138750457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).