[4-(azaniumylmethyl)cyclohexyl]methylazanium

C8H20N2+2 — CID 5242220

IUPAC[4-(azaniumylmethyl)cyclohexyl]methylazanium
SMILES[NH3+]CC1CCC(C[NH3+])CC1
InChIInChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2/p+2
InChIKeyOXIKYYJDTWKERT-UHFFFAOYSA-P
MW144.26 g/mol
LogP-0.72
Rot. Bonds2

About [4-(azaniumylmethyl)cyclohexyl]methylazanium

[4-(azaniumylmethyl)cyclohexyl]methylazanium (PubChem CID 5242220) has the molecular formula C8H20N2+2 and a molecular weight of 144.26 g/mol. Its IUPAC name is [4-(azaniumylmethyl)cyclohexyl]methylazanium.

Molecular Properties

Compound Name[4-(azaniumylmethyl)cyclohexyl]methylazanium
PubChem CID5242220
Molecular FormulaC8H20N2+2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name[4-(azaniumylmethyl)cyclohexyl]methylazanium
SMILES[NH3+]CC1CCC(C[NH3+])CC1
InChIInChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2/p+2
InChIKeyOXIKYYJDTWKERT-UHFFFAOYSA-P
XLogP-0.72
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [4-(azaniumylmethyl)cyclohexyl]methylazanium?
The IUPAC name of [4-(azaniumylmethyl)cyclohexyl]methylazanium (CID 5242220) is [4-(azaniumylmethyl)cyclohexyl]methylazanium.
What is the SMILES notation for [4-(azaniumylmethyl)cyclohexyl]methylazanium?
The canonical SMILES for [4-(azaniumylmethyl)cyclohexyl]methylazanium is [NH3+]CC1CCC(C[NH3+])CC1.
What is the InChIKey of [4-(azaniumylmethyl)cyclohexyl]methylazanium?
The InChIKey is OXIKYYJDTWKERT-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2/p+2.
What are the key properties of [4-(azaniumylmethyl)cyclohexyl]methylazanium?
[4-(azaniumylmethyl)cyclohexyl]methylazanium has a molecular weight of 144.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azaniumylmethyl)cyclohexyl]methylazanium is sourced from PubChem (CID 5242220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).