(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol

C12H20N2O — CID 99703929

IUPAC(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol
SMILESCc1cccc(NCC[C@H](O)C(C)C)n1
InChIInChI=1S/C12H20N2O/c1-9(2)11(15)7-8-13-12-6-4-5-10(3)14-12/h4-6,9,11,15H,7-8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyJNSLJVYYSMKQTK-NSHDSACASA-N
MW208.31 g/mol
LogP2.21
Rot. Bonds5

About (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol

(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol (PubChem CID 99703929) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol.

Molecular Properties

Compound Name(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol
PubChem CID99703929
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol
SMILESCc1cccc(NCC[C@H](O)C(C)C)n1
InChIInChI=1S/C12H20N2O/c1-9(2)11(15)7-8-13-12-6-4-5-10(3)14-12/h4-6,9,11,15H,7-8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyJNSLJVYYSMKQTK-NSHDSACASA-N
XLogP2.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol?
The IUPAC name of (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol (CID 99703929) is (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol.
What is the SMILES notation for (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol?
The canonical SMILES for (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol is Cc1cccc(NCC[C@H](O)C(C)C)n1.
What is the InChIKey of (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol?
The InChIKey is JNSLJVYYSMKQTK-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)11(15)7-8-13-12-6-4-5-10(3)14-12/h4-6,9,11,15H,7-8H2,1-3H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol?
(3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol has a molecular weight of 208.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-1-[(6-methyl-2-pyridinyl)amino]pentan-3-ol is sourced from PubChem (CID 99703929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).