N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine

C13H23N3O — CID 114276433

IUPACN-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(CCOCCN)Cc1cccnc1
InChIInChI=1S/C13H23N3O/c1-12(2)16(7-9-17-8-5-14)11-13-4-3-6-15-10-13/h3-4,6,10,12H,5,7-9,11,14H2,1-2H3
InChIKeyILSAZBKKGXXEJA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.27
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine

N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 114276433) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID114276433
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(CCOCCN)Cc1cccnc1
InChIInChI=1S/C13H23N3O/c1-12(2)16(7-9-17-8-5-14)11-13-4-3-6-15-10-13/h3-4,6,10,12H,5,7-9,11,14H2,1-2H3
InChIKeyILSAZBKKGXXEJA-UHFFFAOYSA-N
XLogP1.27
TPSA51.38 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 ≤ 51.27
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-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine
CID 114276414
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
N-[2-(2-aminoethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79478830
2-(2-pyridin-3-yloxyethoxy)ethanamine
CID 103482595
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine (CID 114276433) is N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine is CC(C)N(CCOCCN)Cc1cccnc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is ILSAZBKKGXXEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)16(7-9-17-8-5-14)11-13-4-3-6-15-10-13/h3-4,6,10,12H,5,7-9,11,14H2,1-2H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine?
N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 114276433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).