N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine

C17H31N3O — CID 82941710

IUPACN-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1c(C)cc(C)nc1N(CCOC)C(C)C
InChIInChI=1S/C17H31N3O/c1-7-8-18-12-16-14(4)11-15(5)19-17(16)20(13(2)3)9-10-21-6/h11,13,18H,7-10,12H2,1-6H3
InChIKeyQMZRKFKJZIBSKX-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.06
Rot. Bonds9

About N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine

N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 82941710) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID82941710
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1c(C)cc(C)nc1N(CCOC)C(C)C
InChIInChI=1S/C17H31N3O/c1-7-8-18-12-16-14(4)11-15(5)19-17(16)20(13(2)3)9-10-21-6/h11,13,18H,7-10,12H2,1-6H3
InChIKeyQMZRKFKJZIBSKX-UHFFFAOYSA-N
XLogP3.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine (CID 82941710) is N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1c(C)cc(C)nc1N(CCOC)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is QMZRKFKJZIBSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-8-18-12-16-14(4)11-15(5)19-17(16)20(13(2)3)9-10-21-6/h11,13,18H,7-10,12H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 82941710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).