4-(4,6-dimethyl-2-pyridinyl)butan-1-amine

C11H18N2 — CID 67823775

IUPAC4-(4,6-dimethyl-2-pyridinyl)butan-1-amine
SMILESCc1cc(C)nc(CCCCN)c1
InChIInChI=1S/C11H18N2/c1-9-7-10(2)13-11(8-9)5-3-4-6-12/h7-8H,3-6,12H2,1-2H3
InChIKeyOTSQNPHCBFSFRP-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.98
Rot. Bonds4

About 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine

4-(4,6-dimethyl-2-pyridinyl)butan-1-amine (PubChem CID 67823775) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-pyridinyl)butan-1-amine
PubChem CID67823775
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(4,6-dimethyl-2-pyridinyl)butan-1-amine
SMILESCc1cc(C)nc(CCCCN)c1
InChIInChI=1S/C11H18N2/c1-9-7-10(2)13-11(8-9)5-3-4-6-12/h7-8H,3-6,12H2,1-2H3
InChIKeyOTSQNPHCBFSFRP-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine?
The IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine (CID 67823775) is 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine.
What is the SMILES notation for 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine?
The canonical SMILES for 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine is Cc1cc(C)nc(CCCCN)c1.
What is the InChIKey of 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine?
The InChIKey is OTSQNPHCBFSFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-10(2)13-11(8-9)5-3-4-6-12/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine?
4-(4,6-dimethyl-2-pyridinyl)butan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-pyridinyl)butan-1-amine is sourced from PubChem (CID 67823775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).