1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide

C9H16ClNO — CID 67895862

IUPAC1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(CCl)CC1
InChIInChI=1S/C9H16ClNO/c1-3-11(4-2)8(12)9(7-10)5-6-9/h3-7H2,1-2H3
InChIKeyLPUXRRYWLCNXEX-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.87
Rot. Bonds4

About 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide

1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide (PubChem CID 67895862) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
PubChem CID67895862
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(CCl)CC1
InChIInChI=1S/C9H16ClNO/c1-3-11(4-2)8(12)9(7-10)5-6-9/h3-7H2,1-2H3
InChIKeyLPUXRRYWLCNXEX-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(Chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
CID 131001682
[3-(Chloromethyl)pyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
CID 131150903
4-chloro-N,N-diisobutyl-butyramide
CID 5169445
N-butan-2-yl-N-butyl-4-chlorobutanamide
CID 60660006
N-butan-2-yl-4-chloro-N-methylbutanamide
CID 63308987
N-butan-2-yl-4-chloro-N-ethylbutanamide
CID 63308989
4-Chloro-N,N-diethyl-butyramide
CID 2434869
N,N-dibutyl-4-chlorobutanamide
CID 3531291
4-chloro-N,N-di(propan-2-yl)butanamide
CID 11790362
2-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
CID 66980142
2-(2-chlorocyclopropyl)-N,N-diethylacetamide
CID 68001455
N-(3-chloropropyl)-N-(2,2-dimethylpropyl)-2,2-dimethylpropanamide
CID 88572350

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide (CID 67895862) is 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1(CCl)CC1.
What is the InChIKey of 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
The InChIKey is LPUXRRYWLCNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-3-11(4-2)8(12)9(7-10)5-6-9/h3-7H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide?
1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide has a molecular weight of 189.69 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide is sourced from PubChem (CID 67895862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).