(2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol

C14H24N2O — CID 86794955

IUPAC(2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol
SMILESCC(C)c1cccc(CN[C@H](CO)C(C)C)n1
InChIInChI=1S/C14H24N2O/c1-10(2)13-7-5-6-12(16-13)8-15-14(9-17)11(3)4/h5-7,10-11,14-15,17H,8-9H2,1-4H3/t14-/m1/s1
InChIKeyKHRSJIHXZHSARF-CQSZACIVSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds6

About (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol

(2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol (PubChem CID 86794955) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol
PubChem CID86794955
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol
SMILESCC(C)c1cccc(CN[C@H](CO)C(C)C)n1
InChIInChI=1S/C14H24N2O/c1-10(2)13-7-5-6-12(16-13)8-15-14(9-17)11(3)4/h5-7,10-11,14-15,17H,8-9H2,1-4H3/t14-/m1/s1
InChIKeyKHRSJIHXZHSARF-CQSZACIVSA-N
XLogP2.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol (CID 86794955) is (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol is CC(C)c1cccc(CN[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol?
The InChIKey is KHRSJIHXZHSARF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)13-7-5-6-12(16-13)8-15-14(9-17)11(3)4/h5-7,10-11,14-15,17H,8-9H2,1-4H3/t14-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol?
(2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(6-propan-2-yl-2-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 86794955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).