[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride

C10H21ClN2O2 — CID 174605763

IUPAC[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride
SMILESCl.[H]/N=C/[C@H](CC)C(C)C(C)(C)OC(N)=O
InChIInChI=1S/C10H20N2O2.ClH/c1-5-8(6-11)7(2)10(3,4)14-9(12)13;/h6-8,11H,5H2,1-4H3,(H2,12,13);1H/b11-6+;/t7?,8-;/m0./s1
InChIKeyCABQPCPDKCNCGM-LZIQTSMGSA-N
MW236.74 g/mol
LogP2.59
Rot. Bonds5

About [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride

[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride (PubChem CID 174605763) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride.

Molecular Properties

Compound Name[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride
PubChem CID174605763
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride
SMILESCl.[H]/N=C/[C@H](CC)C(C)C(C)(C)OC(N)=O
InChIInChI=1S/C10H20N2O2.ClH/c1-5-8(6-11)7(2)10(3,4)14-9(12)13;/h6-8,11H,5H2,1-4H3,(H2,12,13);1H/b11-6+;/t7?,8-;/m0./s1
InChIKeyCABQPCPDKCNCGM-LZIQTSMGSA-N
XLogP2.59
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate
CID 174590998
2,3-dimethylbutan-2-yl carbamate
CID 20975410
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
CID 174596017
(6-imino-2,4-dimethyl-5-oxohexan-2-yl) carbamate
CID 174513579
ethyl 2-methanimidoylbutanoate
CID 90815324
methyl (2S)-2-methanimidoylbutanoate
CID 174333241
(2S)-2-methanimidoylbutanoic acid;hydrochloride
CID 174755849
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2,5-dimethylheptan-2-yl carbamate
CID 123535810
(2S)-2-chloro-3-methanimidoylpentanal
CID 174336805
1-iminopropan-2-ol;hydrochloride
CID 158886323
tert-butyl N-(1-amino-1-imino-3-methylpentan-2-yl)carbamate;hydrochloride
CID 137320121

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride?
The IUPAC name of [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride (CID 174605763) is [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride.
What is the SMILES notation for [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride?
The canonical SMILES for [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride is Cl.[H]/N=C/[C@H](CC)C(C)C(C)(C)OC(N)=O.
What is the InChIKey of [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride?
The InChIKey is CABQPCPDKCNCGM-LZIQTSMGSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-5-8(6-11)7(2)10(3,4)14-9(12)13;/h6-8,11H,5H2,1-4H3,(H2,12,13);1H/b11-6+;/t7?,8-;/m0./s1.
What are the key properties of [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride?
[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride is sourced from PubChem (CID 174605763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).