cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum

C17H31N3Pt — CID 160696590

IUPACcyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].NC1CCCCC1
InChIInChI=1S/C11H18N2.C6H13N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;7-6-4-2-1-3-5-6;/h7-8,11H,2-6,9H2,1H3;6H,1-5,7H2;
InChIKeyRQBPSBXINFYNSC-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.76
Rot. Bonds2

About cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum

cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum (PubChem CID 160696590) has the molecular formula C17H31N3Pt and a molecular weight of 472.53 g/mol. Its IUPAC name is cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum.

Molecular Properties

Compound Namecyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum
PubChem CID160696590
Molecular FormulaC17H31N3Pt
Molecular Weight472.53 g/mol
Exact Mass472.22
IUPAC Namecyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].NC1CCCCC1
InChIInChI=1S/C11H18N2.C6H13N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;7-6-4-2-1-3-5-6;/h7-8,11H,2-6,9H2,1H3;6H,1-5,7H2;
InChIKeyRQBPSBXINFYNSC-UHFFFAOYSA-N
XLogP3.76
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum?
The IUPAC name of cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum (CID 160696590) is cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum.
What is the SMILES notation for cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum?
The canonical SMILES for cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum is Cn1ccn(CC2CCCCC2)c1=[Pt].NC1CCCCC1.
What is the InChIKey of cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum?
The InChIKey is RQBPSBXINFYNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C6H13N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;7-6-4-2-1-3-5-6;/h7-8,11H,2-6,9H2,1H3;6H,1-5,7H2;.
What are the key properties of cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum?
cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum has a molecular weight of 472.53 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum is sourced from PubChem (CID 160696590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).