[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate

C10H20N2O2 — CID 174590998

IUPAC[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate
SMILES[H]/N=C/[C@@H](CC)C(C)C(C)(C)OC(N)=O
InChIInChI=1S/C10H20N2O2/c1-5-8(6-11)7(2)10(3,4)14-9(12)13/h6-8,11H,5H2,1-4H3,(H2,12,13)/b11-6+/t7?,8-/m1/s1
InChIKeyWJZGJXJJFGSJFZ-OSQUKEKBSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds5

About [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate

[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate (PubChem CID 174590998) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate
PubChem CID174590998
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate
SMILES[H]/N=C/[C@@H](CC)C(C)C(C)(C)OC(N)=O
InChIInChI=1S/C10H20N2O2/c1-5-8(6-11)7(2)10(3,4)14-9(12)13/h6-8,11H,5H2,1-4H3,(H2,12,13)/b11-6+/t7?,8-/m1/s1
InChIKeyWJZGJXJJFGSJFZ-OSQUKEKBSA-N
XLogP2.17
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate;hydrochloride
CID 174605763
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
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2,5-dimethylheptan-2-yl carbamate
CID 123535810
(2S)-2-chloro-3-methanimidoylpentanal
CID 174336805
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
(2E)-2-ethylidene-4-methanimidoylhexanamide
CID 167093885
(2S)-2-methanimidoylbutanoic acid;hydrochloride
CID 174755849

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate?
The IUPAC name of [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate (CID 174590998) is [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate.
What is the SMILES notation for [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate?
The canonical SMILES for [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate is [H]/N=C/[C@@H](CC)C(C)C(C)(C)OC(N)=O.
What is the InChIKey of [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate?
The InChIKey is WJZGJXJJFGSJFZ-OSQUKEKBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-8(6-11)7(2)10(3,4)14-9(12)13/h6-8,11H,5H2,1-4H3,(H2,12,13)/b11-6+/t7?,8-/m1/s1.
What are the key properties of [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate?
[(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate has a molecular weight of 200.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methanimidoyl-2,3-dimethylhexan-2-yl] carbamate is sourced from PubChem (CID 174590998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).