[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine

C5H9Cl2N — CID 90019531

IUPAC[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine
SMILESC[C@H]1[C@@H](CN)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3-4(2-8)5(3,6)7/h3-4H,2,8H2,1H3/t3-,4+/m0/s1
InChIKeyUCCVLOPFQGPAJV-IUYQGCFVSA-N
MW154.04 g/mol
LogP1.38
Rot. Bonds1

About [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine

[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine (PubChem CID 90019531) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine
PubChem CID90019531
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine
SMILESC[C@H]1[C@@H](CN)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3-4(2-8)5(3,6)7/h3-4H,2,8H2,1H3/t3-,4+/m0/s1
InChIKeyUCCVLOPFQGPAJV-IUYQGCFVSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.04
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine (CID 90019531) is [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine is C[C@H]1[C@@H](CN)C1(Cl)Cl.
What is the InChIKey of [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine?
The InChIKey is UCCVLOPFQGPAJV-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-3-4(2-8)5(3,6)7/h3-4H,2,8H2,1H3/t3-,4+/m0/s1.
What are the key properties of [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine?
[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine has a molecular weight of 154.04 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine is sourced from PubChem (CID 90019531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).