N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide

C11H20ClNO — CID 115456092

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC1(CCl)CC1
InChIInChI=1S/C11H20ClNO/c1-8(2)9(3)10(14)13-7-11(6-12)4-5-11/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyOZKFWAFMOJYHKQ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.41
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide (PubChem CID 115456092) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide
PubChem CID115456092
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC1(CCl)CC1
InChIInChI=1S/C11H20ClNO/c1-8(2)9(3)10(14)13-7-11(6-12)4-5-11/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyOZKFWAFMOJYHKQ-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
CID 103969430
N-[[1-(chloromethyl)cyclopropyl]methyl]-3,4,4-trimethylpentanamide
CID 115456181
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103969559
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115364703
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184243

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide (CID 115456092) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide?
The InChIKey is OZKFWAFMOJYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-8(2)9(3)10(14)13-7-11(6-12)4-5-11/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide has a molecular weight of 217.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 115456092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).