chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)

C26H40CrN2 — CID 21399618

IUPACchromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)
SMILESCCCN(CCC)Cc1[c-]cccc1.CCCN(CCC)Cc1[c-]cccc1.[Cr+2]
InChIInChI=1S/2C13H20N.Cr/c2*1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;/h2*5-8H,3-4,10-12H2,1-2H3;/q2*-1;+2
InChIKeyYHEKOEPGIOAQNE-UHFFFAOYSA-N
MW432.62 g/mol
LogP6.22
Rot. Bonds12

About chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)

chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine) (PubChem CID 21399618) has the molecular formula C26H40CrN2 and a molecular weight of 432.62 g/mol. Its IUPAC name is chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine).

Molecular Properties

Compound Namechromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)
PubChem CID21399618
Molecular FormulaC26H40CrN2
Molecular Weight432.62 g/mol
Exact Mass432.26
IUPAC Namechromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)
SMILESCCCN(CCC)Cc1[c-]cccc1.CCCN(CCC)Cc1[c-]cccc1.[Cr+2]
InChIInChI=1S/2C13H20N.Cr/c2*1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;/h2*5-8H,3-4,10-12H2,1-2H3;/q2*-1;+2
InChIKeyYHEKOEPGIOAQNE-UHFFFAOYSA-N
XLogP6.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.62
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)?
The IUPAC name of chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine) (CID 21399618) is chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine).
What is the SMILES notation for chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)?
The canonical SMILES for chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine) is CCCN(CCC)Cc1[c-]cccc1.CCCN(CCC)Cc1[c-]cccc1.[Cr+2].
What is the InChIKey of chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)?
The InChIKey is YHEKOEPGIOAQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N.Cr/c2*1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;/h2*5-8H,3-4,10-12H2,1-2H3;/q2*-1;+2.
What are the key properties of chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)?
chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine) has a molecular weight of 432.62 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine) is sourced from PubChem (CID 21399618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).