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

C14H24N2O2 — CID 62288778

IUPACN-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCOc1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-11-12-6-7-15-13(10-12)18-9-5-8-17-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyYIYZSAWKJTUOEK-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.38
Rot. Bonds7

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

N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62288778) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62288778
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCCCOc1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-11-12-6-7-15-13(10-12)18-9-5-8-17-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyYIYZSAWKJTUOEK-UHFFFAOYSA-N
XLogP2.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.38
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-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103180821
N-[[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104566379
N-[[2-(2-cyclopropylethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205341
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62321833
4-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62289206
1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 66225919
2-methyl-N-[[2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 55056803
4-[(tert-butylamino)methyl]-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 62293920
[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid
CID 119086342
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
N-[[2-(2,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62296390
N-[[2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103490322

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62288778) is N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is COCCCOc1cc(CNC(C)(C)C)ccn1.
What is the InChIKey of N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YIYZSAWKJTUOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)16-11-12-6-7-15-13(10-12)18-9-5-8-17-4/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62288778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).