2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine

C13H30N2O — CID 62539904

IUPAC2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)NCCOC
InChIInChI=1S/C13H30N2O/c1-4-5-6-7-8-9-13(2,12-14)15-10-11-16-3/h15H,4-12,14H2,1-3H3
InChIKeyJTYGBKDYRINJTG-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.30
Rot. Bonds11

About 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine

2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine (PubChem CID 62539904) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
PubChem CID62539904
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)NCCOC
InChIInChI=1S/C13H30N2O/c1-4-5-6-7-8-9-13(2,12-14)15-10-11-16-3/h15H,4-12,14H2,1-3H3
InChIKeyJTYGBKDYRINJTG-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
CID 116643472
2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
CID 62539724
2-methyl-2-N-propan-2-yloctane-1,2-diamine
CID 62066797
2-(2,2-dimethylhydrazinyl)-2-methylnonan-1-amine
CID 83011091
N-heptyl-5-methylnonan-5-amine
CID 126560493
1-methoxy-3-methyldodecan-3-amine
CID 62620545
2,2-dimethyloctan-1-amine
CID 62739423
1-(2-methoxyethylamino)-3-methyltridecan-3-ol
CID 66003679
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
CID 130426441
6-methyltridecan-6-ylhydrazine
CID 139378233
N-ethyl-7-methyltetradecan-7-amine
CID 593697

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine (CID 62539904) is 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine is CCCCCCCC(C)(CN)NCCOC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine?
The InChIKey is JTYGBKDYRINJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-4-5-6-7-8-9-13(2,12-14)15-10-11-16-3/h15H,4-12,14H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine?
2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.30, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine is sourced from PubChem (CID 62539904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).