2-bromopentane-1,5-diamine

C5H13BrN2 — CID 12531043

IUPAC2-bromopentane-1,5-diamine
SMILESNCCCC(Br)CN
InChIInChI=1S/C5H13BrN2/c6-5(4-8)2-1-3-7/h5H,1-4,7-8H2
InChIKeyQBJPMMHTJIVRCL-UHFFFAOYSA-N
MW181.08 g/mol
LogP0.45
Rot. Bonds4

About 2-bromopentane-1,5-diamine

2-bromopentane-1,5-diamine (PubChem CID 12531043) has the molecular formula C5H13BrN2 and a molecular weight of 181.08 g/mol. Its IUPAC name is 2-bromopentane-1,5-diamine.

Molecular Properties

Compound Name2-bromopentane-1,5-diamine
PubChem CID12531043
Molecular FormulaC5H13BrN2
Molecular Weight181.08 g/mol
Exact Mass180.03
IUPAC Name2-bromopentane-1,5-diamine
SMILESNCCCC(Br)CN
InChIInChI=1S/C5H13BrN2/c6-5(4-8)2-1-3-7/h5H,1-4,7-8H2
InChIKeyQBJPMMHTJIVRCL-UHFFFAOYSA-N
XLogP0.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-bromohexan-1-ol
CID 110189651
2-bromopropane-1,3-diamine;dihydrobromide
CID 517709
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
1-bromohexane-1,6-diamine
CID 174353675
1-bromododecane-1,12-diamine
CID 175488635
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
tridecane-1,4,7,10,13-pentamine
CID 86224803
3-(aminomethyl)hexane-1,2,6-triamine
CID 90942747
(2S)-5-amino-1-bromopentan-2-ol
CID 130712358
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
octane-1,4,8-triamine
CID 18544198
4,5-dimethylhexan-1-amine
CID 55283993

Frequently Asked Questions

What is the IUPAC name of 2-bromopentane-1,5-diamine?
The IUPAC name of 2-bromopentane-1,5-diamine (CID 12531043) is 2-bromopentane-1,5-diamine.
What is the SMILES notation for 2-bromopentane-1,5-diamine?
The canonical SMILES for 2-bromopentane-1,5-diamine is NCCCC(Br)CN.
What is the InChIKey of 2-bromopentane-1,5-diamine?
The InChIKey is QBJPMMHTJIVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BrN2/c6-5(4-8)2-1-3-7/h5H,1-4,7-8H2.
What are the key properties of 2-bromopentane-1,5-diamine?
2-bromopentane-1,5-diamine has a molecular weight of 181.08 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopentane-1,5-diamine is sourced from PubChem (CID 12531043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).