(1S)-2,2-dichloro-N-methylcyclopropan-1-amine

C4H7Cl2N — CID 90019523

IUPAC(1S)-2,2-dichloro-N-methylcyclopropan-1-amine
SMILESCN[C@H]1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c1-7-3-2-4(3,5)6/h3,7H,2H2,1H3/t3-/m0/s1
InChIKeyOBIAGLSGMVCBOL-VKHMYHEASA-N
MW140.01 g/mol
LogP1.15
Rot. Bonds1

About (1S)-2,2-dichloro-N-methylcyclopropan-1-amine

(1S)-2,2-dichloro-N-methylcyclopropan-1-amine (PubChem CID 90019523) has the molecular formula C4H7Cl2N and a molecular weight of 140.01 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-methylcyclopropan-1-amine
PubChem CID90019523
Molecular FormulaC4H7Cl2N
Molecular Weight140.01 g/mol
Exact Mass139.00
IUPAC Name(1S)-2,2-dichloro-N-methylcyclopropan-1-amine
SMILESCN[C@H]1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c1-7-3-2-4(3,5)6/h3,7H,2H2,1H3/t3-/m0/s1
InChIKeyOBIAGLSGMVCBOL-VKHMYHEASA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.01
LogP ≤ 51.15
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)-2,2-dichloro-N-methylcyclopropan-1-amine?
The IUPAC name of (1S)-2,2-dichloro-N-methylcyclopropan-1-amine (CID 90019523) is (1S)-2,2-dichloro-N-methylcyclopropan-1-amine.
What is the SMILES notation for (1S)-2,2-dichloro-N-methylcyclopropan-1-amine?
The canonical SMILES for (1S)-2,2-dichloro-N-methylcyclopropan-1-amine is CN[C@H]1CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-methylcyclopropan-1-amine?
The InChIKey is OBIAGLSGMVCBOL-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7Cl2N/c1-7-3-2-4(3,5)6/h3,7H,2H2,1H3/t3-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-methylcyclopropan-1-amine?
(1S)-2,2-dichloro-N-methylcyclopropan-1-amine has a molecular weight of 140.01 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-methylcyclopropan-1-amine is sourced from PubChem (CID 90019523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).