N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine

C16H28N2O3 — CID 103180821

IUPACN-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCOCCOc1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)18-13-14-6-7-17-15(12-14)21-11-10-20-9-5-8-19-4/h6-7,12,18H,5,8-11,13H2,1-4H3
InChIKeyASAMPVOOPICAJR-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.40
Rot. Bonds10

About N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 103180821) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID103180821
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCOCCOc1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)18-13-14-6-7-17-15(12-14)21-11-10-20-9-5-8-19-4/h6-7,12,18H,5,8-11,13H2,1-4H3
InChIKeyASAMPVOOPICAJR-UHFFFAOYSA-N
XLogP2.40
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.40
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-[[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104566379
N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288778
N-[[2-(2-cyclopropylethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205341
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62292173
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62321833
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292365
4-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62289206
N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 55231672
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 103180821) is N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine is COCCCOCCOc1cc(CNC(C)(C)C)ccn1.
What is the InChIKey of N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ASAMPVOOPICAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)18-13-14-6-7-17-15(12-14)21-11-10-20-9-5-8-19-4/h6-7,12,18H,5,8-11,13H2,1-4H3.
What are the key properties of N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.41 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103180821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).