1,1-dibromopropan-1-amine

C3H7Br2N — CID 130016828

IUPAC1,1-dibromopropan-1-amine
SMILESCCC(N)(Br)Br
InChIInChI=1S/C3H7Br2N/c1-2-3(4,5)6/h2,6H2,1H3
InChIKeyHSNXPNJOHHSPHQ-UHFFFAOYSA-N
MW216.90 g/mol
LogP1.80
Rot. Bonds1

About 1,1-dibromopropan-1-amine

1,1-dibromopropan-1-amine (PubChem CID 130016828) has the molecular formula C3H7Br2N and a molecular weight of 216.90 g/mol. Its IUPAC name is 1,1-dibromopropan-1-amine.

Molecular Properties

Compound Name1,1-dibromopropan-1-amine
PubChem CID130016828
Molecular FormulaC3H7Br2N
Molecular Weight216.90 g/mol
Exact Mass214.89
IUPAC Name1,1-dibromopropan-1-amine
SMILESCCC(N)(Br)Br
InChIInChI=1S/C3H7Br2N/c1-2-3(4,5)6/h2,6H2,1H3
InChIKeyHSNXPNJOHHSPHQ-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.90
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromopropan-1-amine?
The IUPAC name of 1,1-dibromopropan-1-amine (CID 130016828) is 1,1-dibromopropan-1-amine.
What is the SMILES notation for 1,1-dibromopropan-1-amine?
The canonical SMILES for 1,1-dibromopropan-1-amine is CCC(N)(Br)Br.
What is the InChIKey of 1,1-dibromopropan-1-amine?
The InChIKey is HSNXPNJOHHSPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br2N/c1-2-3(4,5)6/h2,6H2,1H3.
What are the key properties of 1,1-dibromopropan-1-amine?
1,1-dibromopropan-1-amine has a molecular weight of 216.90 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromopropan-1-amine is sourced from PubChem (CID 130016828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).