N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine

C15H26N2O — CID 134400904

IUPACN-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine
SMILESCCCc1ccnc(CC(CC)NCCOC)c1
InChIInChI=1S/C15H26N2O/c1-4-6-13-7-8-16-15(11-13)12-14(5-2)17-9-10-18-3/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3
InChIKeyLOJVYHGVLXPIHQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.59
Rot. Bonds9

About N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine

N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine (PubChem CID 134400904) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine
PubChem CID134400904
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine
SMILESCCCc1ccnc(CC(CC)NCCOC)c1
InChIInChI=1S/C15H26N2O/c1-4-6-13-7-8-16-15(11-13)12-14(5-2)17-9-10-18-3/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3
InChIKeyLOJVYHGVLXPIHQ-UHFFFAOYSA-N
XLogP2.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-(4-propyl-2-pyridinyl)butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine (CID 134400904) is N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine is CCCc1ccnc(CC(CC)NCCOC)c1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine?
The InChIKey is LOJVYHGVLXPIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-13-7-8-16-15(11-13)12-14(5-2)17-9-10-18-3/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine?
N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 134400904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).