N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide

C17H26N2O — CID 84867892

IUPACN-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide
SMILESCC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)C1CC1
InChIInChI=1S/C17H26N2O/c1-11(18-19-16(20)15-2-3-15)7-17-8-12-4-13(9-17)6-14(5-12)10-17/h12-15H,2-10H2,1H3,(H,19,20)
InChIKeyHUMPKMGSTAVOEO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide

N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide (PubChem CID 84867892) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide
PubChem CID84867892
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide
SMILESCC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)C1CC1
InChIInChI=1S/C17H26N2O/c1-11(18-19-16(20)15-2-3-15)7-17-8-12-4-13(9-17)6-14(5-12)10-17/h12-15H,2-10H2,1H3,(H,19,20)
InChIKeyHUMPKMGSTAVOEO-UHFFFAOYSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide (CID 84867892) is N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide is CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)C1CC1.
What is the InChIKey of N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide?
The InChIKey is HUMPKMGSTAVOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(18-19-16(20)15-2-3-15)7-17-8-12-4-13(9-17)6-14(5-12)10-17/h12-15H,2-10H2,1H3,(H,19,20).
What are the key properties of N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide?
N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 84867892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).