4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol

C12H21NO2 — CID 66001662

IUPAC4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1ccco1
InChIInChI=1S/C12H21NO2/c1-11(2,3)13-8-7-12(4,14)10-6-5-9-15-10/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyZFHHAKZDUVMWQU-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.27
Rot. Bonds4

About 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol

4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol (PubChem CID 66001662) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol
PubChem CID66001662
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1ccco1
InChIInChI=1S/C12H21NO2/c1-11(2,3)13-8-7-12(4,14)10-6-5-9-15-10/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyZFHHAKZDUVMWQU-UHFFFAOYSA-N
XLogP2.27
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-4-methoxybutan-2-ol
CID 63949969
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
3-(furan-2-yl)-N,3-dimethylbutan-1-amine
CID 79830783
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
CID 111468693
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol (CID 66001662) is 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol is CC(C)(C)NCCC(C)(O)c1ccco1.
What is the InChIKey of 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol?
The InChIKey is ZFHHAKZDUVMWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,3)13-8-7-12(4,14)10-6-5-9-15-10/h5-6,9,13-14H,7-8H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol?
4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol has a molecular weight of 211.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 66001662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).