cyclohexyl-(4-methylcyclohexyl)methanediamine

C14H28N2 — CID 19842581

IUPACcyclohexyl-(4-methylcyclohexyl)methanediamine
SMILESCC1CCC(C(N)(N)C2CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-11-7-9-13(10-8-11)14(15,16)12-5-3-2-4-6-12/h11-13H,2-10,15-16H2,1H3
InChIKeyBFUVVAULIZGLBS-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.01
Rot. Bonds2

About cyclohexyl-(4-methylcyclohexyl)methanediamine

cyclohexyl-(4-methylcyclohexyl)methanediamine (PubChem CID 19842581) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is cyclohexyl-(4-methylcyclohexyl)methanediamine.

Molecular Properties

Compound Namecyclohexyl-(4-methylcyclohexyl)methanediamine
PubChem CID19842581
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Namecyclohexyl-(4-methylcyclohexyl)methanediamine
SMILESCC1CCC(C(N)(N)C2CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-11-7-9-13(10-8-11)14(15,16)12-5-3-2-4-6-12/h11-13H,2-10,15-16H2,1H3
InChIKeyBFUVVAULIZGLBS-UHFFFAOYSA-N
XLogP3.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-methylcyclohexyl)methanediamine?
The IUPAC name of cyclohexyl-(4-methylcyclohexyl)methanediamine (CID 19842581) is cyclohexyl-(4-methylcyclohexyl)methanediamine.
What is the SMILES notation for cyclohexyl-(4-methylcyclohexyl)methanediamine?
The canonical SMILES for cyclohexyl-(4-methylcyclohexyl)methanediamine is CC1CCC(C(N)(N)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-(4-methylcyclohexyl)methanediamine?
The InChIKey is BFUVVAULIZGLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-7-9-13(10-8-11)14(15,16)12-5-3-2-4-6-12/h11-13H,2-10,15-16H2,1H3.
What are the key properties of cyclohexyl-(4-methylcyclohexyl)methanediamine?
cyclohexyl-(4-methylcyclohexyl)methanediamine has a molecular weight of 224.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-methylcyclohexyl)methanediamine is sourced from PubChem (CID 19842581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).