N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C13H19ClN2O — CID 79784061

IUPACN-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Cl)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C13H19ClN2O/c1-10(14)9-17-12-6-5-11(15-8-12)7-16-13(2,3)4/h5-6,8,16H,1,7,9H2,2-4H3
InChIKeyIEUHPNUVHPPULI-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.10
Rot. Bonds5

About N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 79784061) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID79784061
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Cl)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C13H19ClN2O/c1-10(14)9-17-12-6-5-11(15-8-12)7-16-13(2,3)4/h5-6,8,16H,1,7,9H2,2-4H3
InChIKeyIEUHPNUVHPPULI-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79794829
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 79788538
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol
CID 114492176
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 106704714
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 79784061) is N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is C=C(Cl)COc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IEUHPNUVHPPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(14)9-17-12-6-5-11(15-8-12)7-16-13(2,3)4/h5-6,8,16H,1,7,9H2,2-4H3.
What are the key properties of N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 254.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79784061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).