4-ethylnonane-3,3-diamine

C11H26N2 — CID 168918748

IUPAC4-ethylnonane-3,3-diamine
SMILESCCCCCC(CC)C(N)(N)CC
InChIInChI=1S/C11H26N2/c1-4-7-8-9-10(5-2)11(12,13)6-3/h10H,4-9,12-13H2,1-3H3
InChIKeyOHFLEGKVUBXKEB-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.62
Rot. Bonds7

About 4-ethylnonane-3,3-diamine

4-ethylnonane-3,3-diamine (PubChem CID 168918748) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-ethylnonane-3,3-diamine.

Molecular Properties

Compound Name4-ethylnonane-3,3-diamine
PubChem CID168918748
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name4-ethylnonane-3,3-diamine
SMILESCCCCCC(CC)C(N)(N)CC
InChIInChI=1S/C11H26N2/c1-4-7-8-9-10(5-2)11(12,13)6-3/h10H,4-9,12-13H2,1-3H3
InChIKeyOHFLEGKVUBXKEB-UHFFFAOYSA-N
XLogP2.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
4-ethylheptane-3,3-diamine
CID 87457758
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
3-ethyl-2-methylnonan-2-amine
CID 175488413
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
3-hexyl-2-methylundecan-2-amine
CID 89005835
4-ethyl-3,3-diiodododecane
CID 150472886
4-ethylundecane-3,3-diol
CID 156789030
3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
6-ethyl-7,7,8-tripentyltridecane
CID 173380520

Frequently Asked Questions

What is the IUPAC name of 4-ethylnonane-3,3-diamine?
The IUPAC name of 4-ethylnonane-3,3-diamine (CID 168918748) is 4-ethylnonane-3,3-diamine.
What is the SMILES notation for 4-ethylnonane-3,3-diamine?
The canonical SMILES for 4-ethylnonane-3,3-diamine is CCCCCC(CC)C(N)(N)CC.
What is the InChIKey of 4-ethylnonane-3,3-diamine?
The InChIKey is OHFLEGKVUBXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-7-8-9-10(5-2)11(12,13)6-3/h10H,4-9,12-13H2,1-3H3.
What are the key properties of 4-ethylnonane-3,3-diamine?
4-ethylnonane-3,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnonane-3,3-diamine is sourced from PubChem (CID 168918748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).