N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C15H27N3O — CID 62555011

IUPACN'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCc1ccccn1)CC(C)C
InChIInChI=1S/C15H27N3O/c1-14(2)13-18(10-11-19-3)9-8-16-12-15-6-4-5-7-17-15/h4-7,14,16H,8-13H2,1-3H3
InChIKeyGFRRHKXDSVZHAF-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.78
Rot. Bonds10

About N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62555011) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID62555011
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCc1ccccn1)CC(C)C
InChIInChI=1S/C15H27N3O/c1-14(2)13-18(10-11-19-3)9-8-16-12-15-6-4-5-7-17-15/h4-7,14,16H,8-13H2,1-3H3
InChIKeyGFRRHKXDSVZHAF-UHFFFAOYSA-N
XLogP1.78
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089880
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62554933
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-(pyridin-2-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275980

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 62555011) is N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is COCCN(CCNCc1ccccn1)CC(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GFRRHKXDSVZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2)13-18(10-11-19-3)9-8-16-12-15-6-4-5-7-17-15/h4-7,14,16H,8-13H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).