carbamic acid;3,3-dimethylbutan-1-ol

C7H17NO3 — CID 71436896

IUPACcarbamic acid;3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CCO.NC(=O)O
InChIInChI=1S/C6H14O.CH3NO2/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;2H2,(H,3,4)
InChIKeyZTOKAGCPMGBIDQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.04
Rot. Bonds1

About carbamic acid;3,3-dimethylbutan-1-ol

carbamic acid;3,3-dimethylbutan-1-ol (PubChem CID 71436896) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is carbamic acid;3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Namecarbamic acid;3,3-dimethylbutan-1-ol
PubChem CID71436896
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Namecarbamic acid;3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CCO.NC(=O)O
InChIInChI=1S/C6H14O.CH3NO2/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;2H2,(H,3,4)
InChIKeyZTOKAGCPMGBIDQ-UHFFFAOYSA-N
XLogP1.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylbutan-1-ol;ethane
CID 155708762
carbonyl dichloride;3,3-dimethylbutan-1-ol;3,3-dimethylbutyl carbonochloridate
CID 158535901
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
2-amino-2-methylpropanoic acid;azane;3,3-dimethylbutan-1-ol;3,3-dimethylbutyl 2-chloro-2-methylpropanoate
CID 165030486
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677
4,4-dimethylpentanamide;hydrochloride
CID 141202343
3,3-dimethylbutanal;3,3-dimethylbutan-1-ol;molecular oxygen;hydrate
CID 161148236
2-chloro-4-hydroxy-2-methylbutanoic acid
CID 54026852
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
CID 151869449
3-amino-3-methylbutan-1-ol
CID 641000

Frequently Asked Questions

What is the IUPAC name of carbamic acid;3,3-dimethylbutan-1-ol?
The IUPAC name of carbamic acid;3,3-dimethylbutan-1-ol (CID 71436896) is carbamic acid;3,3-dimethylbutan-1-ol.
What is the SMILES notation for carbamic acid;3,3-dimethylbutan-1-ol?
The canonical SMILES for carbamic acid;3,3-dimethylbutan-1-ol is CC(C)(C)CCO.NC(=O)O.
What is the InChIKey of carbamic acid;3,3-dimethylbutan-1-ol?
The InChIKey is ZTOKAGCPMGBIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.CH3NO2/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;2H2,(H,3,4).
What are the key properties of carbamic acid;3,3-dimethylbutan-1-ol?
carbamic acid;3,3-dimethylbutan-1-ol has a molecular weight of 163.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3,3-dimethylbutan-1-ol is sourced from PubChem (CID 71436896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).