1-bromopropane;N-methylmethanamine

C5H14BrN — CID 21478069

IUPAC1-bromopropane;N-methylmethanamine
SMILESCCCBr.CNC
InChIInChI=1S/C3H7Br.C2H7N/c1-2-3-4;1-3-2/h2-3H2,1H3;3H,1-2H3
InChIKeyHYOBPQXJZFQNHR-UHFFFAOYSA-N
MW168.08 g/mol
LogP1.63
Rot. Bonds1

About 1-bromopropane;N-methylmethanamine

1-bromopropane;N-methylmethanamine (PubChem CID 21478069) has the molecular formula C5H14BrN and a molecular weight of 168.08 g/mol. Its IUPAC name is 1-bromopropane;N-methylmethanamine.

Molecular Properties

Compound Name1-bromopropane;N-methylmethanamine
PubChem CID21478069
Molecular FormulaC5H14BrN
Molecular Weight168.08 g/mol
Exact Mass167.03
IUPAC Name1-bromopropane;N-methylmethanamine
SMILESCCCBr.CNC
InChIInChI=1S/C3H7Br.C2H7N/c1-2-3-4;1-3-2/h2-3H2,1H3;3H,1-2H3
InChIKeyHYOBPQXJZFQNHR-UHFFFAOYSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 51.63
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 1-bromopropane;N-methylmethanamine?
The IUPAC name of 1-bromopropane;N-methylmethanamine (CID 21478069) is 1-bromopropane;N-methylmethanamine.
What is the SMILES notation for 1-bromopropane;N-methylmethanamine?
The canonical SMILES for 1-bromopropane;N-methylmethanamine is CCCBr.CNC.
What is the InChIKey of 1-bromopropane;N-methylmethanamine?
The InChIKey is HYOBPQXJZFQNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br.C2H7N/c1-2-3-4;1-3-2/h2-3H2,1H3;3H,1-2H3.
What are the key properties of 1-bromopropane;N-methylmethanamine?
1-bromopropane;N-methylmethanamine has a molecular weight of 168.08 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropane;N-methylmethanamine is sourced from PubChem (CID 21478069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).