2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol

C11H25NO — CID 114495374

IUPAC2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol
SMILESCCC(CC)N(C)CC(C)(O)CC
InChIInChI=1S/C11H25NO/c1-6-10(7-2)12(5)9-11(4,13)8-3/h10,13H,6-9H2,1-5H3
InChIKeyBZGXEMNVSHARAF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.27
Rot. Bonds6

About 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol

2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol (PubChem CID 114495374) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol
PubChem CID114495374
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol
SMILESCCC(CC)N(C)CC(C)(O)CC
InChIInChI=1S/C11H25NO/c1-6-10(7-2)12(5)9-11(4,13)8-3/h10,13H,6-9H2,1-5H3
InChIKeyBZGXEMNVSHARAF-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129
3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile
CID 114493790
1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
CID 64819989
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
CID 64796626
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
CID 166869742
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325
2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 165461902
1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 43570997
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol (CID 114495374) is 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol is CCC(CC)N(C)CC(C)(O)CC.
What is the InChIKey of 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol?
The InChIKey is BZGXEMNVSHARAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-10(7-2)12(5)9-11(4,13)8-3/h10,13H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol?
2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol is sourced from PubChem (CID 114495374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).