bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)

C28H62N6 — CID 159202117

IUPACbis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)
SMILESCC(C)/C=N/C(C)C.CC(C)/C=N/C(C)C.CC(C)C=NNC(C)C.CC(C)C=NNC(C)C
InChIInChI=1S/2C7H16N2.2C7H15N/c2*1-6(2)5-8-9-7(3)4;2*1-6(2)5-8-7(3)4/h2*5-7,9H,1-4H3;2*5-7H,1-4H3/b;;2*8-5+
InChIKeyKPKPXOJINZSFMN-KSLQSKCSSA-N
MW482.85 g/mol
LogP7.50
Rot. Bonds10

About bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)

bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine) (PubChem CID 159202117) has the molecular formula C28H62N6 and a molecular weight of 482.85 g/mol. Its IUPAC name is bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine).

Molecular Properties

Compound Namebis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)
PubChem CID159202117
Molecular FormulaC28H62N6
Molecular Weight482.85 g/mol
Exact Mass482.50
IUPAC Namebis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)
SMILESCC(C)/C=N/C(C)C.CC(C)/C=N/C(C)C.CC(C)C=NNC(C)C.CC(C)C=NNC(C)C
InChIInChI=1S/2C7H16N2.2C7H15N/c2*1-6(2)5-8-9-7(3)4;2*1-6(2)5-8-7(3)4/h2*5-7,9H,1-4H3;2*5-7H,1-4H3/b;;2*8-5+
InChIKeyKPKPXOJINZSFMN-KSLQSKCSSA-N
XLogP7.50
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.85
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)?
The IUPAC name of bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine) (CID 159202117) is bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine).
What is the SMILES notation for bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)?
The canonical SMILES for bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine) is CC(C)/C=N/C(C)C.CC(C)/C=N/C(C)C.CC(C)C=NNC(C)C.CC(C)C=NNC(C)C.
What is the InChIKey of bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)?
The InChIKey is KPKPXOJINZSFMN-KSLQSKCSSA-N. The full InChI is InChI=1S/2C7H16N2.2C7H15N/c2*1-6(2)5-8-9-7(3)4;2*1-6(2)5-8-7(3)4/h2*5-7,9H,1-4H3;2*5-7H,1-4H3/b;;2*8-5+.
What are the key properties of bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine)?
bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine) has a molecular weight of 482.85 g/mol, XLogP of 7.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-N-propan-2-ylpropan-1-imine);bis(N-(2-methylpropylideneamino)propan-2-amine) is sourced from PubChem (CID 159202117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).