3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine

C10H17Cl2N — CID 106440079

IUPAC3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
SMILESCC(=CCl)CNC1CC(Cl)C1(C)C
InChIInChI=1S/C10H17Cl2N/c1-7(5-11)6-13-9-4-8(12)10(9,2)3/h5,8-9,13H,4,6H2,1-3H3
InChIKeyZQEIILXPYOJROT-UHFFFAOYSA-N
MW222.16 g/mol
LogP3.12
Rot. Bonds3

About 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine

3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 106440079) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
PubChem CID106440079
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC Name3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
SMILESCC(=CCl)CNC1CC(Cl)C1(C)C
InChIInChI=1S/C10H17Cl2N/c1-7(5-11)6-13-9-4-8(12)10(9,2)3/h5,8-9,13H,4,6H2,1-3H3
InChIKeyZQEIILXPYOJROT-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-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

3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114631905
N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 107897801
N-(3-chloro-2-methylprop-2-enyl)cyclopentanamine
CID 106437272
N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
CID 106437444
3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
CID 106438250
N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
CID 106438266
3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 114631990
N-[(4-tert-butylphenyl)methyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631954
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
[2-[(3-chloro-2-methylprop-2-enyl)amino]cyclopentyl]methanol
CID 106438361
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
CID 106438223
N-(3-chloro-2-methylprop-2-enyl)-1-cyclopropylpyrrolidin-3-amine
CID 106437648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine (CID 106440079) is 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine is CC(=CCl)CNC1CC(Cl)C1(C)C.
What is the InChIKey of 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is ZQEIILXPYOJROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c1-7(5-11)6-13-9-4-8(12)10(9,2)3/h5,8-9,13H,4,6H2,1-3H3.
What are the key properties of 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine?
3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 222.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 106440079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).