2-N,2-N,2-trimethylnonane-2,3-diamine

C12H28N2 — CID 79053375

IUPAC2-N,2-N,2-trimethylnonane-2,3-diamine
SMILESCCCCCCC(N)C(C)(C)N(C)C
InChIInChI=1S/C12H28N2/c1-6-7-8-9-10-11(13)12(2,3)14(4)5/h11H,6-10,13H2,1-5H3
InChIKeyQEIFREGOXKIVMZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.62
Rot. Bonds7

About 2-N,2-N,2-trimethylnonane-2,3-diamine

2-N,2-N,2-trimethylnonane-2,3-diamine (PubChem CID 79053375) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N,2-N,2-trimethylnonane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethylnonane-2,3-diamine
PubChem CID79053375
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N,2-N,2-trimethylnonane-2,3-diamine
SMILESCCCCCCC(N)C(C)(C)N(C)C
InChIInChI=1S/C12H28N2/c1-6-7-8-9-10-11(13)12(2,3)14(4)5/h11H,6-10,13H2,1-5H3
InChIKeyQEIFREGOXKIVMZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.62
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

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(3S)-2,2-dimethyloctan-3-amine
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4,4-dimethylicosan-5-amine;hydrobromide
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2-aminotetradecane-1,1,1-triol;hydrochloride
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2-ethoxy-2-methylundecan-3-amine
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CID 88938409
2-aminoheptane-1,1,1-triol
CID 90384529
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CID 150913764
15-tetradecyltriacontane-15,16-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethylnonane-2,3-diamine?
The IUPAC name of 2-N,2-N,2-trimethylnonane-2,3-diamine (CID 79053375) is 2-N,2-N,2-trimethylnonane-2,3-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethylnonane-2,3-diamine?
The canonical SMILES for 2-N,2-N,2-trimethylnonane-2,3-diamine is CCCCCCC(N)C(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethylnonane-2,3-diamine?
The InChIKey is QEIFREGOXKIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-7-8-9-10-11(13)12(2,3)14(4)5/h11H,6-10,13H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethylnonane-2,3-diamine?
2-N,2-N,2-trimethylnonane-2,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethylnonane-2,3-diamine is sourced from PubChem (CID 79053375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).