(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol

C12H27NO — CID 79254000

IUPAC(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
SMILESCC(C)CCC(C)N[C@H](CO)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)6-7-11(5)13-12(8-14)10(3)4/h9-14H,6-8H2,1-5H3/t11?,12-/m1/s1
InChIKeyIQBQVAWESRINNX-PIJUOVFKSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds7

About (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol

(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol (PubChem CID 79254000) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
PubChem CID79254000
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
SMILESCC(C)CCC(C)N[C@H](CO)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)6-7-11(5)13-12(8-14)10(3)4/h9-14H,6-8H2,1-5H3/t11?,12-/m1/s1
InChIKeyIQBQVAWESRINNX-PIJUOVFKSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanoic acid
CID 79254254
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036853
(2R)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036851
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanenitrile
CID 79248876
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol
CID 115895057
(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol
CID 79254598
3-methyl-2-(pentan-2-ylamino)pentan-1-ol
CID 115891612

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol (CID 79254000) is (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol is CC(C)CCC(C)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol?
The InChIKey is IQBQVAWESRINNX-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)6-7-11(5)13-12(8-14)10(3)4/h9-14H,6-8H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol?
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol is sourced from PubChem (CID 79254000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).