1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine

C30H44NP — CID 102304448

IUPAC1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(C)c1ccc2c(c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc3c1CCCC3)CCCC2
InChIInChI=1S/C30H44NP/c1-29(2,3)32(30(4,5)6)26-20-18-22-14-10-12-16-24(22)28(26)27-23-15-11-9-13-21(23)17-19-25(27)31(7)8/h17-20H,9-16H2,1-8H3
InChIKeySHWMIJDFZZUKLH-UHFFFAOYSA-N
MW449.66 g/mol
LogP7.88
Rot. Bonds3

About 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine

1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 102304448) has the molecular formula C30H44NP and a molecular weight of 449.66 g/mol. Its IUPAC name is 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID102304448
Molecular FormulaC30H44NP
Molecular Weight449.66 g/mol
Exact Mass449.32
IUPAC Name1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(C)c1ccc2c(c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc3c1CCCC3)CCCC2
InChIInChI=1S/C30H44NP/c1-29(2,3)32(30(4,5)6)26-20-18-22-14-10-12-16-24(22)28(26)27-23-15-11-9-13-21(23)17-19-25(27)31(7)8/h17-20H,9-16H2,1-8H3
InChIKeySHWMIJDFZZUKLH-UHFFFAOYSA-N
XLogP7.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.66
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 102304448) is 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine is CN(C)c1ccc2c(c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc3c1CCCC3)CCCC2.
What is the InChIKey of 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is SHWMIJDFZZUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44NP/c1-29(2,3)32(30(4,5)6)26-20-18-22-14-10-12-16-24(22)28(26)27-23-15-11-9-13-21(23)17-19-25(27)31(7)8/h17-20H,9-16H2,1-8H3.
What are the key properties of 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 449.66 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 102304448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).