1-bromohexane-1,6-diamine

C6H15BrN2 — CID 174353675

IUPAC1-bromohexane-1,6-diamine
SMILESNCCCCCC(N)Br
InChIInChI=1S/C6H15BrN2/c7-6(9)4-2-1-3-5-8/h6H,1-5,8-9H2
InChIKeyXZFGVHGFZOVKCT-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.19
Rot. Bonds5

About 1-bromohexane-1,6-diamine

1-bromohexane-1,6-diamine (PubChem CID 174353675) has the molecular formula C6H15BrN2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-bromohexane-1,6-diamine.

Molecular Properties

Compound Name1-bromohexane-1,6-diamine
PubChem CID174353675
Molecular FormulaC6H15BrN2
Molecular Weight195.10 g/mol
Exact Mass194.04
IUPAC Name1-bromohexane-1,6-diamine
SMILESNCCCCCC(N)Br
InChIInChI=1S/C6H15BrN2/c7-6(9)4-2-1-3-5-8/h6H,1-5,8-9H2
InChIKeyXZFGVHGFZOVKCT-UHFFFAOYSA-N
XLogP1.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromododecane-1,12-diamine
CID 175488635
pentacosane-1,13,25-triamine
CID 174653759
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
1-bromooctan-1-amine
CID 87659812
1-iododecane-1,10-diamine
CID 175279846
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
1,6-diaminohexan-1-ol
CID 57008257
undecane-1,10-diamine
CID 140782210
1-bromopropan-1-amine;dodecan-1-amine
CID 90285524

Frequently Asked Questions

What is the IUPAC name of 1-bromohexane-1,6-diamine?
The IUPAC name of 1-bromohexane-1,6-diamine (CID 174353675) is 1-bromohexane-1,6-diamine.
What is the SMILES notation for 1-bromohexane-1,6-diamine?
The canonical SMILES for 1-bromohexane-1,6-diamine is NCCCCCC(N)Br.
What is the InChIKey of 1-bromohexane-1,6-diamine?
The InChIKey is XZFGVHGFZOVKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BrN2/c7-6(9)4-2-1-3-5-8/h6H,1-5,8-9H2.
What are the key properties of 1-bromohexane-1,6-diamine?
1-bromohexane-1,6-diamine has a molecular weight of 195.10 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohexane-1,6-diamine is sourced from PubChem (CID 174353675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).