N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide

C26H46N3P — CID 132546445

IUPACN-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\NP(C(C)(C)C)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C26H46N3P/c1-19(2)21-15-14-16-22(20(3)4)23(21)27-24(29-17-12-11-13-18-29)28-30(25(5,6)7)26(8,9)10/h14-16,19-20H,11-13,17-18H2,1-10H3,(H,27,28)
InChIKeyPTEYJJOFPYZJQX-UHFFFAOYSA-N
MW431.65 g/mol
LogP7.99
Rot. Bonds4

About N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide

N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide (PubChem CID 132546445) has the molecular formula C26H46N3P and a molecular weight of 431.65 g/mol. Its IUPAC name is N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide
PubChem CID132546445
Molecular FormulaC26H46N3P
Molecular Weight431.65 g/mol
Exact Mass431.34
IUPAC NameN-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\NP(C(C)(C)C)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C26H46N3P/c1-19(2)21-15-14-16-22(20(3)4)23(21)27-24(29-17-12-11-13-18-29)28-30(25(5,6)7)26(8,9)10/h14-16,19-20H,11-13,17-18H2,1-10H3,(H,27,28)
InChIKeyPTEYJJOFPYZJQX-UHFFFAOYSA-N
XLogP7.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide
CID 102394445
N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
CID 20771836
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
CID 72959562
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
N-[(E)-3-chloro-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139133966
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
2-[2,6-di(propan-2-yl)phenyl]-1-pyrrolidin-1-ylethanethione
CID 158025071

Frequently Asked Questions

What is the IUPAC name of N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide?
The IUPAC name of N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide (CID 132546445) is N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide is CC(C)c1cccc(C(C)C)c1/N=C(\NP(C(C)(C)C)C(C)(C)C)N1CCCCC1.
What is the InChIKey of N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide?
The InChIKey is PTEYJJOFPYZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N3P/c1-19(2)21-15-14-16-22(20(3)4)23(21)27-24(29-17-12-11-13-18-29)28-30(25(5,6)7)26(8,9)10/h14-16,19-20H,11-13,17-18H2,1-10H3,(H,27,28).
What are the key properties of N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide?
N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide has a molecular weight of 431.65 g/mol, XLogP of 7.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide is sourced from PubChem (CID 132546445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).