(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride

C8H19ClN2O2 — CID 140664667

IUPAC(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride
SMILESCC(C)(C)C(CCN)OC(N)=O.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-8(2,3)6(4-5-9)12-7(10)11;/h6H,4-5,9H2,1-3H3,(H2,10,11);1H
InChIKeyOQPJWMKUDJRGSC-UHFFFAOYSA-N
MW210.70 g/mol
LogP1.27
Rot. Bonds3

About (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride

(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride (PubChem CID 140664667) has the molecular formula C8H19ClN2O2 and a molecular weight of 210.70 g/mol. Its IUPAC name is (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride.

Molecular Properties

Compound Name(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride
PubChem CID140664667
Molecular FormulaC8H19ClN2O2
Molecular Weight210.70 g/mol
Exact Mass210.11
IUPAC Name(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride
SMILESCC(C)(C)C(CCN)OC(N)=O.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-8(2,3)6(4-5-9)12-7(10)11;/h6H,4-5,9H2,1-3H3,(H2,10,11);1H
InChIKeyOQPJWMKUDJRGSC-UHFFFAOYSA-N
XLogP1.27
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylheptan-3-yl carbamate
CID 175434709
(1-chloro-3,3-dimethylbutan-2-yl) carbamate
CID 54122830
(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
CID 150297531
[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate
CID 175096885
(1-cyano-3,3-dimethylbutan-2-yl) carbamate
CID 89240462
[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate
CID 129110948
[1-(4-aminophenyl)-3,3-dimethylbutan-2-yl] carbamate
CID 67217930
(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
CID 161039387
[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate
CID 87581677
[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 91312567
(5-acetyloxy-6,6-dimethylheptyl) acetate
CID 15812151
2,2-dimethylhexan-3-yl N-methylcarbamate
CID 175749324

Frequently Asked Questions

What is the IUPAC name of (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride?
The IUPAC name of (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride (CID 140664667) is (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride.
What is the SMILES notation for (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride?
The canonical SMILES for (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride is CC(C)(C)C(CCN)OC(N)=O.Cl.
What is the InChIKey of (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride?
The InChIKey is OQPJWMKUDJRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.ClH/c1-8(2,3)6(4-5-9)12-7(10)11;/h6H,4-5,9H2,1-3H3,(H2,10,11);1H.
What are the key properties of (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride?
(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride has a molecular weight of 210.70 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride is sourced from PubChem (CID 140664667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).