[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide

C31H48N3- — CID 102382050

IUPAC[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C31H48N3/c1-19(2)25-15-13-16-26(20(3)4)29(25)32-31(34(23(9)10)24(11)12)33-30-27(21(5)6)17-14-18-28(30)22(7)8/h13-24H,1-12H3/q-1
InChIKeyCALKFHQOBCBQRB-UHFFFAOYSA-N
MW462.75 g/mol
LogP9.99
Rot. Bonds8

About [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide

[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide (PubChem CID 102382050) has the molecular formula C31H48N3- and a molecular weight of 462.75 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
PubChem CID102382050
Molecular FormulaC31H48N3-
Molecular Weight462.75 g/mol
Exact Mass462.39
IUPAC Name[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C31H48N3/c1-19(2)25-15-13-16-26(20(3)4)29(25)32-31(34(23(9)10)24(11)12)33-30-27(21(5)6)17-14-18-28(30)22(7)8/h13-24H,1-12H3/q-1
InChIKeyCALKFHQOBCBQRB-UHFFFAOYSA-N
XLogP9.99
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.75
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
CID 23523221
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)
CID 139130265
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
CID 139180324
tetramagnesium;tetrakis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);toluene;tetraiodide
CID 139088211
copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine
CID 139133313

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide (CID 102382050) is [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide is CC(C)c1cccc(C(C)C)c1/N=C(\[N-]c1c(C(C)C)cccc1C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide?
The InChIKey is CALKFHQOBCBQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48N3/c1-19(2)25-15-13-16-26(20(3)4)29(25)32-31(34(23(9)10)24(11)12)33-30-27(21(5)6)17-14-18-28(30)22(7)8/h13-24H,1-12H3/q-1.
What are the key properties of [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide?
[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide has a molecular weight of 462.75 g/mol, XLogP of 9.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide is sourced from PubChem (CID 102382050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).