N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C15H27N3O — CID 62561727

IUPACN-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)Cc1ccccn1
InChIInChI=1S/C15H27N3O/c1-3-19-13-7-6-9-16-11-12-18(2)14-15-8-4-5-10-17-15/h4-5,8,10,16H,3,6-7,9,11-14H2,1-2H3
InChIKeyFBPVOZSHNCETSI-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.92
Rot. Bonds11

About N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62561727) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID62561727
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)Cc1ccccn1
InChIInChI=1S/C15H27N3O/c1-3-19-13-7-6-9-16-11-12-18(2)14-15-8-4-5-10-17-15/h4-5,8,10,16H,3,6-7,9,11-14H2,1-2H3
InChIKeyFBPVOZSHNCETSI-UHFFFAOYSA-N
XLogP1.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.92
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'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 86824151
N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 60853394
N-(3-ethoxypropyl)-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62574333
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556922
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 62561727) is N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is CCOCCCCNCCN(C)Cc1ccccn1.
What is the InChIKey of N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is FBPVOZSHNCETSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-19-13-7-6-9-16-11-12-18(2)14-15-8-4-5-10-17-15/h4-5,8,10,16H,3,6-7,9,11-14H2,1-2H3.
What are the key properties of N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62561727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).