N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide

C10H18N2O — CID 19685374

IUPACN-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide
SMILESC/C(CC(C)C)=N\NC(=O)C1CC1
InChIInChI=1S/C10H18N2O/c1-7(2)6-8(3)11-12-10(13)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,12,13)/b11-8+
InChIKeyKUNCGEGFPMUPAW-DHZHZOJOSA-N
MW182.27 g/mol
LogP1.93
Rot. Bonds4

About N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide

N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide (PubChem CID 19685374) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide
PubChem CID19685374
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide
SMILESC/C(CC(C)C)=N\NC(=O)C1CC1
InChIInChI=1S/C10H18N2O/c1-7(2)6-8(3)11-12-10(13)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,12,13)/b11-8+
InChIKeyKUNCGEGFPMUPAW-DHZHZOJOSA-N
XLogP1.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 7203143
N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide
CID 6175559
N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 84867892
N-(heptan-4-ylideneamino)cyclopropanecarboxamide
CID 4282887
N-(3-methylbutan-2-ylideneamino)cyclohexanecarboxamide
CID 3453081
2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6250271
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
N-[(E)-[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 17369175
4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 58038974
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-(2-methylpropoxy)cyclopropanecarboxamide
CID 115410090

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide (CID 19685374) is N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide is C/C(CC(C)C)=N\NC(=O)C1CC1.
What is the InChIKey of N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide?
The InChIKey is KUNCGEGFPMUPAW-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)6-8(3)11-12-10(13)9-4-5-9/h7,9H,4-6H2,1-3H3,(H,12,13)/b11-8+.
What are the key properties of N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide?
N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 19685374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).