N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C12H28N2O — CID 62575773

IUPACN'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)CC(C)C
InChIInChI=1S/C12H28N2O/c1-5-14(11-12(2)3)9-8-13-7-6-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyHARSRNZHQUFXAQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds10

About N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62575773) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62575773
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)CC(C)C
InChIInChI=1S/C12H28N2O/c1-5-14(11-12(2)3)9-8-13-7-6-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyHARSRNZHQUFXAQ-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
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

N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482603
N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62574591
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N-(2-ethoxyethyl)-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575445
N'-(2-ethoxyethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 63692336
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482433
N'-ethyl-N'-(2-ethylbutyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62574596
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 107402185
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-propan-2-ylethane-1,2-diamine
CID 82952747
N-ethyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)pentane-1,5-diamine
CID 62431554

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62575773) is N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine is CCN(CCNCCCOC)CC(C)C.
What is the InChIKey of N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is HARSRNZHQUFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-14(11-12(2)3)9-8-13-7-6-10-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62575773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).