1,4-bis(bromomethyl)cyclohexane-1,4-diamine

C8H16Br2N2 — CID 91622714

IUPAC1,4-bis(bromomethyl)cyclohexane-1,4-diamine
SMILESNC1(CBr)CCC(N)(CBr)CC1
InChIInChI=1S/C8H16Br2N2/c9-5-7(11)1-2-8(12,6-10)4-3-7/h1-6,11-12H2
InChIKeyYGBPJYZBLRYMSE-UHFFFAOYSA-N
MW300.04 g/mol
LogP1.75
Rot. Bonds2

About 1,4-bis(bromomethyl)cyclohexane-1,4-diamine

1,4-bis(bromomethyl)cyclohexane-1,4-diamine (PubChem CID 91622714) has the molecular formula C8H16Br2N2 and a molecular weight of 300.04 g/mol. Its IUPAC name is 1,4-bis(bromomethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1,4-bis(bromomethyl)cyclohexane-1,4-diamine
PubChem CID91622714
Molecular FormulaC8H16Br2N2
Molecular Weight300.04 g/mol
Exact Mass297.97
IUPAC Name1,4-bis(bromomethyl)cyclohexane-1,4-diamine
SMILESNC1(CBr)CCC(N)(CBr)CC1
InChIInChI=1S/C8H16Br2N2/c9-5-7(11)1-2-8(12,6-10)4-3-7/h1-6,11-12H2
InChIKeyYGBPJYZBLRYMSE-UHFFFAOYSA-N
XLogP1.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.04
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,4-bis(bromomethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1,4-bis(bromomethyl)cyclohexane-1,4-diamine (CID 91622714) is 1,4-bis(bromomethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1,4-bis(bromomethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1,4-bis(bromomethyl)cyclohexane-1,4-diamine is NC1(CBr)CCC(N)(CBr)CC1.
What is the InChIKey of 1,4-bis(bromomethyl)cyclohexane-1,4-diamine?
The InChIKey is YGBPJYZBLRYMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2N2/c9-5-7(11)1-2-8(12,6-10)4-3-7/h1-6,11-12H2.
What are the key properties of 1,4-bis(bromomethyl)cyclohexane-1,4-diamine?
1,4-bis(bromomethyl)cyclohexane-1,4-diamine has a molecular weight of 300.04 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(bromomethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 91622714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).