(2,2-dichloro-3-methylcyclopropyl)methanamine

C5H9Cl2N — CID 90019607

IUPAC(2,2-dichloro-3-methylcyclopropyl)methanamine
SMILESCC1C(CN)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3-4(2-8)5(3,6)7/h3-4H,2,8H2,1H3
InChIKeyUCCVLOPFQGPAJV-UHFFFAOYSA-N
MW154.04 g/mol
LogP1.38
Rot. Bonds1

About (2,2-dichloro-3-methylcyclopropyl)methanamine

(2,2-dichloro-3-methylcyclopropyl)methanamine (PubChem CID 90019607) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is (2,2-dichloro-3-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2,2-dichloro-3-methylcyclopropyl)methanamine
PubChem CID90019607
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name(2,2-dichloro-3-methylcyclopropyl)methanamine
SMILESCC1C(CN)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3-4(2-8)5(3,6)7/h3-4H,2,8H2,1H3
InChIKeyUCCVLOPFQGPAJV-UHFFFAOYSA-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 (2,2-dichloro-3-methylcyclopropyl)methanamine?
The IUPAC name of (2,2-dichloro-3-methylcyclopropyl)methanamine (CID 90019607) is (2,2-dichloro-3-methylcyclopropyl)methanamine.
What is the SMILES notation for (2,2-dichloro-3-methylcyclopropyl)methanamine?
The canonical SMILES for (2,2-dichloro-3-methylcyclopropyl)methanamine is CC1C(CN)C1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-3-methylcyclopropyl)methanamine?
The InChIKey is UCCVLOPFQGPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-3-4(2-8)5(3,6)7/h3-4H,2,8H2,1H3.
What are the key properties of (2,2-dichloro-3-methylcyclopropyl)methanamine?
(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 (2,2-dichloro-3-methylcyclopropyl)methanamine is sourced from PubChem (CID 90019607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).