3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine

C14H24N2O — CID 55256777

IUPAC3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine
SMILESCc1ccnc(C(N)CCOCCC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)5-8-17-9-6-13(15)14-10-12(3)4-7-16-14/h4,7,10-11,13H,5-6,8-9,15H2,1-3H3
InChIKeyNRDCYKNEFZNIRE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.84
Rot. Bonds7

About 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine

3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine (PubChem CID 55256777) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine
PubChem CID55256777
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine
SMILESCc1ccnc(C(N)CCOCCC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)5-8-17-9-6-13(15)14-10-12(3)4-7-16-14/h4,7,10-11,13H,5-6,8-9,15H2,1-3H3
InChIKeyNRDCYKNEFZNIRE-UHFFFAOYSA-N
XLogP2.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.84
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 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine?
The IUPAC name of 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine (CID 55256777) is 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine is Cc1ccnc(C(N)CCOCCC(C)C)c1.
What is the InChIKey of 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine?
The InChIKey is NRDCYKNEFZNIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)5-8-17-9-6-13(15)14-10-12(3)4-7-16-14/h4,7,10-11,13H,5-6,8-9,15H2,1-3H3.
What are the key properties of 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine?
3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 55256777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).