[1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine

C24H37N3Pt — CID 160916309

IUPAC[1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine
SMILESNCc1ccccc1.[Pt]=c1n(CC2CCCCC2)ccn1CC1CCCCC1
InChIInChI=1S/C17H28N2.C7H9N.Pt/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17;8-6-7-4-2-1-3-5-7;/h11-12,16-17H,1-10,13-14H2;1-5H,6,8H2;
InChIKeySRLGZURZSMWCPX-UHFFFAOYSA-N
MW562.66 g/mol
LogP5.67
Rot. Bonds5

About [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine

[1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine (PubChem CID 160916309) has the molecular formula C24H37N3Pt and a molecular weight of 562.66 g/mol. Its IUPAC name is [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine.

Molecular Properties

Compound Name[1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine
PubChem CID160916309
Molecular FormulaC24H37N3Pt
Molecular Weight562.66 g/mol
Exact Mass562.26
IUPAC Name[1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine
SMILESNCc1ccccc1.[Pt]=c1n(CC2CCCCC2)ccn1CC1CCCCC1
InChIInChI=1S/C17H28N2.C7H9N.Pt/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17;8-6-7-4-2-1-3-5-7;/h11-12,16-17H,1-10,13-14H2;1-5H,6,8H2;
InChIKeySRLGZURZSMWCPX-UHFFFAOYSA-N
XLogP5.67
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.66
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptanamine;phenylmethanamine
CID 162192852
phenylmethanamine
CID 19864074
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
phenylmethanamine;trihydrobromide
CID 175177372
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298
2-phenylethylcyclooctane
CID 54073487
1,3-dibenzylcyclooctane
CID 3045388
1-(cyclopentylmethyl)indol-7-amine
CID 114935809
2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049

Frequently Asked Questions

What is the IUPAC name of [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine?
The IUPAC name of [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine (CID 160916309) is [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine.
What is the SMILES notation for [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine?
The canonical SMILES for [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine is NCc1ccccc1.[Pt]=c1n(CC2CCCCC2)ccn1CC1CCCCC1.
What is the InChIKey of [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine?
The InChIKey is SRLGZURZSMWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C7H9N.Pt/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17;8-6-7-4-2-1-3-5-7;/h11-12,16-17H,1-10,13-14H2;1-5H,6,8H2;.
What are the key properties of [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine?
[1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine has a molecular weight of 562.66 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(cyclohexylmethyl)imidazol-2-ylidene]platinum;phenylmethanamine is sourced from PubChem (CID 160916309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).