5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol

C14H24N2O — CID 106129039

IUPAC5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O/c1-11(17)6-5-9-15-13-8-7-12(10-16-13)14(2,3)4/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyIMVCBDMPCVBIQL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.95
Rot. Bonds5

About 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol

5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol (PubChem CID 106129039) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
PubChem CID106129039
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O/c1-11(17)6-5-9-15-13-8-7-12(10-16-13)14(2,3)4/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyIMVCBDMPCVBIQL-UHFFFAOYSA-N
XLogP2.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130918484
4-[(5-amino-2-pyridinyl)amino]butan-2-ol
CID 64928844
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
5-[(5-amino-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106119726
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
N-but-3-enyl-5-tert-butylpyridin-2-amine
CID 107874874

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol (CID 106129039) is 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol is CC(O)CCCNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is IMVCBDMPCVBIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(17)6-5-9-15-13-8-7-12(10-16-13)14(2,3)4/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol?
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 106129039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).