2-[tert-butyl(ethyl)amino]propan-1-ol

C9H21NO — CID 131224515

IUPAC2-[tert-butyl(ethyl)amino]propan-1-ol
SMILESCCN(C(C)CO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-10(8(2)7-11)9(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyZMFHHRHZDSEZKN-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds3

About 2-[tert-butyl(ethyl)amino]propan-1-ol

2-[tert-butyl(ethyl)amino]propan-1-ol (PubChem CID 131224515) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-[tert-butyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[tert-butyl(ethyl)amino]propan-1-ol
PubChem CID131224515
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-[tert-butyl(ethyl)amino]propan-1-ol
SMILESCCN(C(C)CO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-10(8(2)7-11)9(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyZMFHHRHZDSEZKN-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
CID 131224561
2-[tert-butyl(ethyl)amino]propanamide
CID 82040439
2-[tert-butyl(ethyl)amino]propanenitrile
CID 130756537
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
2-[tert-butyl(propan-2-yl)amino]ethanol
CID 54545866
1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol
CID 163994835
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
CID 131872176
CID 131872176
N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
CID 126624378

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(ethyl)amino]propan-1-ol?
The IUPAC name of 2-[tert-butyl(ethyl)amino]propan-1-ol (CID 131224515) is 2-[tert-butyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 2-[tert-butyl(ethyl)amino]propan-1-ol?
The canonical SMILES for 2-[tert-butyl(ethyl)amino]propan-1-ol is CCN(C(C)CO)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(ethyl)amino]propan-1-ol?
The InChIKey is ZMFHHRHZDSEZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-10(8(2)7-11)9(3,4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-[tert-butyl(ethyl)amino]propan-1-ol?
2-[tert-butyl(ethyl)amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 131224515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).