N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine

C30H54N3P — CID 54150083

IUPACN-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine
SMILESC1CCC(N(C2CCCC2)P(N(C2CCCC2)C2CCCC2)N(C2CCCC2)C2CCCC2)C1
InChIInChI=1S/C30H54N3P/c1-2-14-25(13-1)31(26-15-3-4-16-26)34(32(27-17-5-6-18-27)28-19-7-8-20-28)33(29-21-9-10-22-29)30-23-11-12-24-30/h25-30H,1-24H2
InChIKeyOHCVPVQADMDURM-UHFFFAOYSA-N
MW487.76 g/mol
LogP8.77
Rot. Bonds9

About N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine

N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine (PubChem CID 54150083) has the molecular formula C30H54N3P and a molecular weight of 487.76 g/mol. Its IUPAC name is N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine.

Molecular Properties

Compound NameN-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine
PubChem CID54150083
Molecular FormulaC30H54N3P
Molecular Weight487.76 g/mol
Exact Mass487.41
IUPAC NameN-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine
SMILESC1CCC(N(C2CCCC2)P(N(C2CCCC2)C2CCCC2)N(C2CCCC2)C2CCCC2)C1
InChIInChI=1S/C30H54N3P/c1-2-14-25(13-1)31(26-15-3-4-16-26)34(32(27-17-5-6-18-27)28-19-7-8-20-28)33(29-21-9-10-22-29)30-23-11-12-24-30/h25-30H,1-24H2
InChIKeyOHCVPVQADMDURM-UHFFFAOYSA-N
XLogP8.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.76
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine?
The IUPAC name of N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine (CID 54150083) is N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine.
What is the SMILES notation for N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine?
The canonical SMILES for N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine is C1CCC(N(C2CCCC2)P(N(C2CCCC2)C2CCCC2)N(C2CCCC2)C2CCCC2)C1.
What is the InChIKey of N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine?
The InChIKey is OHCVPVQADMDURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N3P/c1-2-14-25(13-1)31(26-15-3-4-16-26)34(32(27-17-5-6-18-27)28-19-7-8-20-28)33(29-21-9-10-22-29)30-23-11-12-24-30/h25-30H,1-24H2.
What are the key properties of N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine?
N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine has a molecular weight of 487.76 g/mol, XLogP of 8.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine is sourced from PubChem (CID 54150083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).