N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C15H28N4O — CID 80636019

IUPACN'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCOCCNCc1ccc(N(C)CCCN(C)C)nc1
InChIInChI=1S/C15H28N4O/c1-18(2)9-5-10-19(3)15-7-6-14(13-17-15)12-16-8-11-20-4/h6-7,13,16H,5,8-12H2,1-4H3
InChIKeyLXEZJMWSDPHHSK-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.21
Rot. Bonds10

About N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 80636019) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID80636019
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCOCCNCc1ccc(N(C)CCCN(C)C)nc1
InChIInChI=1S/C15H28N4O/c1-18(2)9-5-10-19(3)15-7-6-14(13-17-15)12-16-8-11-20-4/h6-7,13,16H,5,8-12H2,1-4H3
InChIKeyLXEZJMWSDPHHSK-UHFFFAOYSA-N
XLogP1.21
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632466
N-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80651024
N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
CID 80632198
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631270
5-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 80629841
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008775
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 80632155

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 80636019) is N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is COCCNCc1ccc(N(C)CCCN(C)C)nc1.
What is the InChIKey of N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is LXEZJMWSDPHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-18(2)9-5-10-19(3)15-7-6-14(13-17-15)12-16-8-11-20-4/h6-7,13,16H,5,8-12H2,1-4H3.
What are the key properties of N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 280.42 g/mol, XLogP of 1.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 80636019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).