N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride

C11H20ClNO — CID 10059217

IUPACN-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride
SMILESC=CCC(C)(C)CN(CCC)C(=O)Cl
InChIInChI=1S/C11H20ClNO/c1-5-7-11(3,4)9-13(8-6-2)10(12)14/h5H,1,6-9H2,2-4H3
InChIKeyIKOSVYXABIFALQ-UHFFFAOYSA-N
MW217.74 g/mol
LogP3.66
Rot. Bonds6

About N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride

N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride (PubChem CID 10059217) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride
PubChem CID10059217
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride
SMILESC=CCC(C)(C)CN(CCC)C(=O)Cl
InChIInChI=1S/C11H20ClNO/c1-5-7-11(3,4)9-13(8-6-2)10(12)14/h5H,1,6-9H2,2-4H3
InChIKeyIKOSVYXABIFALQ-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide
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2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851
(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide
CID 79667596
2-(dipropylamino)-2-oxoacetyl chloride
CID 131861907
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
6,6-dimethylnon-8-en-2-one
CID 146166947
5,5-dimethyloct-7-enoic acid
CID 155168828
ethyl N-(2,2-dimethylpent-4-enyl)carbamate
CID 10559434
2,4,4-trimethylhepta-1,6-diene
CID 15205594
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
N,N-dibutylcarbamoyl chloride;hydrochloride
CID 141018315

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride?
The IUPAC name of N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride (CID 10059217) is N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride.
What is the SMILES notation for N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride?
The canonical SMILES for N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride is C=CCC(C)(C)CN(CCC)C(=O)Cl.
What is the InChIKey of N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride?
The InChIKey is IKOSVYXABIFALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-5-7-11(3,4)9-13(8-6-2)10(12)14/h5H,1,6-9H2,2-4H3.
What are the key properties of N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride?
N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride has a molecular weight of 217.74 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride is sourced from PubChem (CID 10059217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).