2,2-dichloro-3,3-dimethylcyclopropan-1-amine

C5H9Cl2N — CID 70491911

IUPAC2,2-dichloro-3,3-dimethylcyclopropan-1-amine
SMILESCC1(C)C(N)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-4(2)3(8)5(4,6)7/h3H,8H2,1-2H3
InChIKeyYEPFWQTYFILZGM-UHFFFAOYSA-N
MW154.04 g/mol
LogP1.53
Rot. Bonds

About 2,2-dichloro-3,3-dimethylcyclopropan-1-amine

2,2-dichloro-3,3-dimethylcyclopropan-1-amine (PubChem CID 70491911) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is 2,2-dichloro-3,3-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dichloro-3,3-dimethylcyclopropan-1-amine
PubChem CID70491911
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name2,2-dichloro-3,3-dimethylcyclopropan-1-amine
SMILESCC1(C)C(N)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-4(2)3(8)5(4,6)7/h3H,8H2,1-2H3
InChIKeyYEPFWQTYFILZGM-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.04
LogP ≤ 51.53
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-3,3-dimethylcyclopropan-1-amine?
The IUPAC name of 2,2-dichloro-3,3-dimethylcyclopropan-1-amine (CID 70491911) is 2,2-dichloro-3,3-dimethylcyclopropan-1-amine.
What is the SMILES notation for 2,2-dichloro-3,3-dimethylcyclopropan-1-amine?
The canonical SMILES for 2,2-dichloro-3,3-dimethylcyclopropan-1-amine is CC1(C)C(N)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-3,3-dimethylcyclopropan-1-amine?
The InChIKey is YEPFWQTYFILZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-4(2)3(8)5(4,6)7/h3H,8H2,1-2H3.
What are the key properties of 2,2-dichloro-3,3-dimethylcyclopropan-1-amine?
2,2-dichloro-3,3-dimethylcyclopropan-1-amine has a molecular weight of 154.04 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3,3-dimethylcyclopropan-1-amine is sourced from PubChem (CID 70491911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).