2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine

C15H34N2O — CID 54987130

IUPAC2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CCOC)CC(C)C
InChIInChI=1S/C15H34N2O/c1-5-6-7-8-9-15(12-16)17(10-11-18-4)13-14(2)3/h14-15H,5-13,16H2,1-4H3
InChIKeyKSCLDLZBNHTLTO-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.89
Rot. Bonds12

About 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine (PubChem CID 54987130) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
PubChem CID54987130
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CCOC)CC(C)C
InChIInChI=1S/C15H34N2O/c1-5-6-7-8-9-15(12-16)17(10-11-18-4)13-14(2)3/h14-15H,5-13,16H2,1-4H3
InChIKeyKSCLDLZBNHTLTO-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine (CID 54987130) is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine is CCCCCCC(CN)N(CCOC)CC(C)C.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine?
The InChIKey is KSCLDLZBNHTLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-5-6-7-8-9-15(12-16)17(10-11-18-4)13-14(2)3/h14-15H,5-13,16H2,1-4H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.89, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine is sourced from PubChem (CID 54987130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).