1-bromopentane;N-methylmethanamine;hydrobromide

C7H19Br2N — CID 175458714

IUPAC1-bromopentane;N-methylmethanamine;hydrobromide
SMILESBr.CCCCCBr.CNC
InChIInChI=1S/C5H11Br.C2H7N.BrH/c1-2-3-4-5-6;1-3-2;/h2-5H2,1H3;3H,1-2H3;1H
InChIKeyIJBDBUQKAOQZOW-UHFFFAOYSA-N
MW277.04 g/mol
LogP2.98
Rot. Bonds3

About 1-bromopentane;N-methylmethanamine;hydrobromide

1-bromopentane;N-methylmethanamine;hydrobromide (PubChem CID 175458714) has the molecular formula C7H19Br2N and a molecular weight of 277.04 g/mol. Its IUPAC name is 1-bromopentane;N-methylmethanamine;hydrobromide.

Molecular Properties

Compound Name1-bromopentane;N-methylmethanamine;hydrobromide
PubChem CID175458714
Molecular FormulaC7H19Br2N
Molecular Weight277.04 g/mol
Exact Mass274.99
IUPAC Name1-bromopentane;N-methylmethanamine;hydrobromide
SMILESBr.CCCCCBr.CNC
InChIInChI=1S/C5H11Br.C2H7N.BrH/c1-2-3-4-5-6;1-3-2;/h2-5H2,1H3;3H,1-2H3;1H
InChIKeyIJBDBUQKAOQZOW-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 20496
1-bromooctane
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1-bromooctadecane
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1-bromohexadecane;methane
CID 174415075
hexadecane;N-methylmethanamine;hydrobromide
CID 174351414
magnesium;1-bromopentadecane;hydride
CID 173122979
1-bromobutane;1,6-dibromohexane
CID 175305637
N-methylmethanamine;octadecane
CID 18446151
1-bromopropane;N-methylmethanamine
CID 21478069
N-(5-bromopentyl)octan-1-amine
CID 107320236
5-bromo-N-pentylpentan-1-amine
CID 107320303
6-bromo-N-pentylhexan-1-amine
CID 107844161

Frequently Asked Questions

What is the IUPAC name of 1-bromopentane;N-methylmethanamine;hydrobromide?
The IUPAC name of 1-bromopentane;N-methylmethanamine;hydrobromide (CID 175458714) is 1-bromopentane;N-methylmethanamine;hydrobromide.
What is the SMILES notation for 1-bromopentane;N-methylmethanamine;hydrobromide?
The canonical SMILES for 1-bromopentane;N-methylmethanamine;hydrobromide is Br.CCCCCBr.CNC.
What is the InChIKey of 1-bromopentane;N-methylmethanamine;hydrobromide?
The InChIKey is IJBDBUQKAOQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br.C2H7N.BrH/c1-2-3-4-5-6;1-3-2;/h2-5H2,1H3;3H,1-2H3;1H.
What are the key properties of 1-bromopentane;N-methylmethanamine;hydrobromide?
1-bromopentane;N-methylmethanamine;hydrobromide has a molecular weight of 277.04 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopentane;N-methylmethanamine;hydrobromide is sourced from PubChem (CID 175458714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).