N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine

C13H23N3O — CID 81056741

IUPACN-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1ccc(N(C)CCOCC)nc1
InChIInChI=1S/C13H23N3O/c1-4-14-10-12-6-7-13(15-11-12)16(3)8-9-17-5-2/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyZOURGKCGHFDNSH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.66
Rot. Bonds8

About N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine

N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine (PubChem CID 81056741) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine
PubChem CID81056741
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1ccc(N(C)CCOCC)nc1
InChIInChI=1S/C13H23N3O/c1-4-14-10-12-6-7-13(15-11-12)16(3)8-9-17-5-2/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyZOURGKCGHFDNSH-UHFFFAOYSA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.66
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

2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
5-(2-aminopropyl)-N-(2-ethoxyethyl)-N-methylpyridin-2-amine
CID 81068641
5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 62283072
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62289550
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
5-(ethylaminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 62294445
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778
5-(ethylaminomethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 62281875
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine (CID 81056741) is N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine is CCNCc1ccc(N(C)CCOCC)nc1.
What is the InChIKey of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
The InChIKey is ZOURGKCGHFDNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-10-12-6-7-13(15-11-12)16(3)8-9-17-5-2/h6-7,11,14H,4-5,8-10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 81056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).