N',N'-diethylnonane-1,9-diamine

C13H30N2 — CID 22055140

IUPACN',N'-diethylnonane-1,9-diamine
SMILESCCN(CC)CCCCCCCCCN
InChIInChI=1S/C13H30N2/c1-3-15(4-2)13-11-9-7-5-6-8-10-12-14/h3-14H2,1-2H3
InChIKeyGCNBFORAVHVIIZ-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.02
Rot. Bonds11

About N',N'-diethylnonane-1,9-diamine

N',N'-diethylnonane-1,9-diamine (PubChem CID 22055140) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N',N'-diethylnonane-1,9-diamine.

Molecular Properties

Compound NameN',N'-diethylnonane-1,9-diamine
PubChem CID22055140
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN',N'-diethylnonane-1,9-diamine
SMILESCCN(CC)CCCCCCCCCN
InChIInChI=1S/C13H30N2/c1-3-15(4-2)13-11-9-7-5-6-8-10-12-14/h3-14H2,1-2H3
InChIKeyGCNBFORAVHVIIZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N,N-diethylicos-9-ene-1,20-diamine
CID 154402145
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
CID 28599551
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400

Frequently Asked Questions

What is the IUPAC name of N',N'-diethylnonane-1,9-diamine?
The IUPAC name of N',N'-diethylnonane-1,9-diamine (CID 22055140) is N',N'-diethylnonane-1,9-diamine.
What is the SMILES notation for N',N'-diethylnonane-1,9-diamine?
The canonical SMILES for N',N'-diethylnonane-1,9-diamine is CCN(CC)CCCCCCCCCN.
What is the InChIKey of N',N'-diethylnonane-1,9-diamine?
The InChIKey is GCNBFORAVHVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-3-15(4-2)13-11-9-7-5-6-8-10-12-14/h3-14H2,1-2H3.
What are the key properties of N',N'-diethylnonane-1,9-diamine?
N',N'-diethylnonane-1,9-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylnonane-1,9-diamine is sourced from PubChem (CID 22055140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).