2-[[tert-butyl(methyl)amino]methyl]butan-1-ol

C10H23NO — CID 115250602

IUPAC2-[[tert-butyl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-6-9(8-12)7-11(5)10(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyKKBODOSNBHRZEA-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.74
Rot. Bonds4

About 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol

2-[[tert-butyl(methyl)amino]methyl]butan-1-ol (PubChem CID 115250602) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[tert-butyl(methyl)amino]methyl]butan-1-ol
PubChem CID115250602
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-[[tert-butyl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-6-9(8-12)7-11(5)10(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyKKBODOSNBHRZEA-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[tert-butyl(methyl)amino]butan-2-ol
CID 131224547
2-[[methyl(2-methylpropyl)amino]methyl]butan-1-ol
CID 115250601
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873
1-N-tert-butyl-1-N,3-dimethylpentane-1,2-diamine
CID 146666471
(2R)-4,4,4-trideuterio-2-ethylbutan-1-ol
CID 122392699
2-(fluoromethyl)butan-1-ol
CID 59510838
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine
CID 163227922
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250884
2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]butan-1-ol
CID 115250928
3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
CID 82111352
2-ethylpropane-1,3-diol;propane-1,3-diol
CID 137407885

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol (CID 115250602) is 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol is CCC(CO)CN(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol?
The InChIKey is KKBODOSNBHRZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-9(8-12)7-11(5)10(2,3)4/h9,12H,6-8H2,1-5H3.
What are the key properties of 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol?
2-[[tert-butyl(methyl)amino]methyl]butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(methyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115250602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).