1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine

C10H19ClN2 — CID 107900404

IUPAC1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNC/C=C/Cl)CCC1
InChIInChI=1S/C10H19ClN2/c1-13(2)10(5-3-6-10)9-12-8-4-7-11/h4,7,12H,3,5-6,8-9H2,1-2H3/b7-4+
InChIKeyJARAHYDTAUEFGR-QPJJXVBHSA-N
MW202.73 g/mol
LogP1.81
Rot. Bonds5

About 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 107900404) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID107900404
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNC/C=C/Cl)CCC1
InChIInChI=1S/C10H19ClN2/c1-13(2)10(5-3-6-10)9-12-8-4-7-11/h4,7,12H,3,5-6,8-9H2,1-2H3/b7-4+
InChIKeyJARAHYDTAUEFGR-QPJJXVBHSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 107900404) is 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(CNC/C=C/Cl)CCC1.
What is the InChIKey of 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is JARAHYDTAUEFGR-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-13(2)10(5-3-6-10)9-12-8-4-7-11/h4,7,12H,3,5-6,8-9H2,1-2H3/b7-4+.
What are the key properties of 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 202.73 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(E)-3-chloroprop-2-enyl]amino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 107900404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).