2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine

C14H32N2O — CID 80557289

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(CC)CCOCC
InChIInChI=1S/C14H32N2O/c1-5-8-9-10-14(4,13-15)16(6-2)11-12-17-7-3/h5-13,15H2,1-4H3
InChIKeyOHQVCDHLIBVKEP-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.64
Rot. Bonds11

About 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine (PubChem CID 80557289) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine
PubChem CID80557289
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(CC)CCOCC
InChIInChI=1S/C14H32N2O/c1-5-8-9-10-14(4,13-15)16(6-2)11-12-17-7-3/h5-13,15H2,1-4H3
InChIKeyOHQVCDHLIBVKEP-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
CID 112723382
2-N-(2-ethoxyethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831420
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
CID 116535393
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
CID 107397828
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
1-ethoxypropane;pentan-1-amine
CID 174936602

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine (CID 80557289) is 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine is CCCCCC(C)(CN)N(CC)CCOCC.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine?
The InChIKey is OHQVCDHLIBVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-8-9-10-14(4,13-15)16(6-2)11-12-17-7-3/h5-13,15H2,1-4H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine is sourced from PubChem (CID 80557289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).