(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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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).