N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide

C11H21NO — CID 100609902

IUPACN-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
SMILESCC(C)C(NC(=O)C1CC1)C(C)C
InChIInChI=1S/C11H21NO/c1-7(2)10(8(3)4)12-11(13)9-5-6-9/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyYVLFAICOVZURKL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.19
Rot. Bonds4

About N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide

N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide (PubChem CID 100609902) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
PubChem CID100609902
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
SMILESCC(C)C(NC(=O)C1CC1)C(C)C
InChIInChI=1S/C11H21NO/c1-7(2)10(8(3)4)12-11(13)9-5-6-9/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyYVLFAICOVZURKL-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide (CID 100609902) is N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide is CC(C)C(NC(=O)C1CC1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide?
The InChIKey is YVLFAICOVZURKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7(2)10(8(3)4)12-11(13)9-5-6-9/h7-10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide?
N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 100609902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).