methyl N-(5-methylhexan-2-ylideneamino)carbamate

C9H18N2O2 — CID 131853337

IUPACmethyl N-(5-methylhexan-2-ylideneamino)carbamate
SMILESCOC(=O)NN=C(C)CCC(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)5-6-8(3)10-11-9(12)13-4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyYIIUQTZDVKFOFB-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.15
Rot. Bonds4

About methyl N-(5-methylhexan-2-ylideneamino)carbamate

methyl N-(5-methylhexan-2-ylideneamino)carbamate (PubChem CID 131853337) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl N-(5-methylhexan-2-ylideneamino)carbamate.

Molecular Properties

Compound Namemethyl N-(5-methylhexan-2-ylideneamino)carbamate
PubChem CID131853337
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl N-(5-methylhexan-2-ylideneamino)carbamate
SMILESCOC(=O)NN=C(C)CCC(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)5-6-8(3)10-11-9(12)13-4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyYIIUQTZDVKFOFB-UHFFFAOYSA-N
XLogP2.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(methoxycarbonylhydrazinylidene)butanoate
CID 170986188
3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 3995777
3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 5146609
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
methyl N-[4-(4-hydroxyphenyl)butan-2-ylideneamino]carbamate
CID 91941877
methyl (1E)-N-methoxycarbonylethanehydrazonate
CID 118028972
2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide
CID 6025913
2-methoxy-6-methylheptan-3-one
CID 79617250
propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate
CID 58684879
3-methyl-N-(pentan-2-ylideneamino)butanamide
CID 4171993
ethyl 2-[N-(methoxycarbonylamino)-C-methylcarbonimidoyl]pentanoate
CID 3255004
methyl N-[(E)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]carbamate
CID 136643574

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-methylhexan-2-ylideneamino)carbamate?
The IUPAC name of methyl N-(5-methylhexan-2-ylideneamino)carbamate (CID 131853337) is methyl N-(5-methylhexan-2-ylideneamino)carbamate.
What is the SMILES notation for methyl N-(5-methylhexan-2-ylideneamino)carbamate?
The canonical SMILES for methyl N-(5-methylhexan-2-ylideneamino)carbamate is COC(=O)NN=C(C)CCC(C)C.
What is the InChIKey of methyl N-(5-methylhexan-2-ylideneamino)carbamate?
The InChIKey is YIIUQTZDVKFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)5-6-8(3)10-11-9(12)13-4/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of methyl N-(5-methylhexan-2-ylideneamino)carbamate?
methyl N-(5-methylhexan-2-ylideneamino)carbamate has a molecular weight of 186.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-methylhexan-2-ylideneamino)carbamate is sourced from PubChem (CID 131853337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).