N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine

C8H13Cl2N — CID 104865691

IUPACN-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine
SMILESCC1(NCC(Cl)=CCl)CCC1
InChIInChI=1S/C8H13Cl2N/c1-8(3-2-4-8)11-6-7(10)5-9/h5,11H,2-4,6H2,1H3
InChIKeyNLFWXLQTAGZHDT-UHFFFAOYSA-N
MW194.10 g/mol
LogP2.84
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine

N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine (PubChem CID 104865691) has the molecular formula C8H13Cl2N and a molecular weight of 194.10 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine
PubChem CID104865691
Molecular FormulaC8H13Cl2N
Molecular Weight194.10 g/mol
Exact Mass193.04
IUPAC NameN-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine
SMILESCC1(NCC(Cl)=CCl)CCC1
InChIInChI=1S/C8H13Cl2N/c1-8(3-2-4-8)11-6-7(10)5-9/h5,11H,2-4,6H2,1H3
InChIKeyNLFWXLQTAGZHDT-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol
CID 79167559
[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol
CID 115359482
N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
CID 79997830
(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
CID 131438238
ethane;N-ethyl-1-methylcyclobutan-1-amine
CID 177037581
N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine
CID 116680427
1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66046891
N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine
CID 164655887
3-methyl-4-[(1-methylcyclohexyl)amino]but-2-enoic acid
CID 103244851
N-cyclohexyl-2-[(1-methylcyclopentyl)amino]acetamide
CID 61367157
N-(2,3-dichloroprop-2-enyl)cyclopentanamine
CID 79167999
1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine (CID 104865691) is N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine is CC1(NCC(Cl)=CCl)CCC1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine?
The InChIKey is NLFWXLQTAGZHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2N/c1-8(3-2-4-8)11-6-7(10)5-9/h5,11H,2-4,6H2,1H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine?
N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine has a molecular weight of 194.10 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine is sourced from PubChem (CID 104865691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).