2-[tert-butyl(propan-2-yl)amino]ethanol

C9H21NO — CID 54545866

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

About 2-[tert-butyl(propan-2-yl)amino]ethanol

2-[tert-butyl(propan-2-yl)amino]ethanol (PubChem CID 54545866) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-[tert-butyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[tert-butyl(propan-2-yl)amino]ethanol
PubChem CID54545866
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-[tert-butyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(2)10(6-7-11)9(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyIEJFVMLTXIKDNS-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

N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 155616242
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 170213540
2-[tert-butyl(ethyl)amino]propan-1-ol
CID 131224515
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
2-[methanidyl(propan-2-yl)amino]ethanol
CID 59626620
5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol
CID 176601408
2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol
CID 87764605
2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
CID 62272801
1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol
CID 163994835
N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
CID 126624378
N-tert-butyl-N-(2-hydroxyethyl)formamide
CID 19694745

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[tert-butyl(propan-2-yl)amino]ethanol (CID 54545866) is 2-[tert-butyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[tert-butyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[tert-butyl(propan-2-yl)amino]ethanol is CC(C)N(CCO)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(propan-2-yl)amino]ethanol?
The InChIKey is IEJFVMLTXIKDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)10(6-7-11)9(3,4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-[tert-butyl(propan-2-yl)amino]ethanol?
2-[tert-butyl(propan-2-yl)amino]ethanol 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(propan-2-yl)amino]ethanol is sourced from PubChem (CID 54545866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).