4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane

C16H30N2 — CID 155709923

IUPAC4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane
SMILESCC.CCCCc1ccc(CCCCN)nc1C
InChIInChI=1S/C14H24N2.C2H6/c1-3-4-7-13-9-10-14(16-12(13)2)8-5-6-11-15;1-2/h9-10H,3-8,11,15H2,1-2H3;1-2H3
InChIKeyPPCLGJBJOBVZQV-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.04
Rot. Bonds7

About 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane

4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane (PubChem CID 155709923) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane.

Molecular Properties

Compound Name4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane
PubChem CID155709923
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane
SMILESCC.CCCCc1ccc(CCCCN)nc1C
InChIInChI=1S/C14H24N2.C2H6/c1-3-4-7-13-9-10-14(16-12(13)2)8-5-6-11-15;1-2/h9-10H,3-8,11,15H2,1-2H3;1-2H3
InChIKeyPPCLGJBJOBVZQV-UHFFFAOYSA-N
XLogP4.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.04
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-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane?
The IUPAC name of 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane (CID 155709923) is 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane.
What is the SMILES notation for 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane?
The canonical SMILES for 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane is CC.CCCCc1ccc(CCCCN)nc1C.
What is the InChIKey of 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane?
The InChIKey is PPCLGJBJOBVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.C2H6/c1-3-4-7-13-9-10-14(16-12(13)2)8-5-6-11-15;1-2/h9-10H,3-8,11,15H2,1-2H3;1-2H3.
What are the key properties of 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane?
4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane has a molecular weight of 250.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane is sourced from PubChem (CID 155709923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).