N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine

C24H46N6O4P2 — CID 10602617

IUPACN-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine
SMILESCN1CCOP(NCc2cccc(CNP3OCCN(C)CCN(C)CCO3)c2)OCCN(C)CC1
InChIInChI=1S/C24H46N6O4P2/c1-27-8-9-28(2)13-17-32-35(31-16-12-27)25-21-23-6-5-7-24(20-23)22-26-36-33-18-14-29(3)10-11-30(4)15-19-34-36/h5-7,20,25-26H,8-19,21-22H2,1-4H3
InChIKeyJXNOQLUMOQYPGO-UHFFFAOYSA-N
MW544.62 g/mol
LogP2.14
Rot. Bonds6

About N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine

N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine (PubChem CID 10602617) has the molecular formula C24H46N6O4P2 and a molecular weight of 544.62 g/mol. Its IUPAC name is N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine.

Molecular Properties

Compound NameN-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine
PubChem CID10602617
Molecular FormulaC24H46N6O4P2
Molecular Weight544.62 g/mol
Exact Mass544.31
IUPAC NameN-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine
SMILESCN1CCOP(NCc2cccc(CNP3OCCN(C)CCN(C)CCO3)c2)OCCN(C)CC1
InChIInChI=1S/C24H46N6O4P2/c1-27-8-9-28(2)13-17-32-35(31-16-12-27)25-21-23-6-5-7-24(20-23)22-26-36-33-18-14-29(3)10-11-30(4)15-19-34-36/h5-7,20,25-26H,8-19,21-22H2,1-4H3
InChIKeyJXNOQLUMOQYPGO-UHFFFAOYSA-N
XLogP2.14
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.62
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine?
The IUPAC name of N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine (CID 10602617) is N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine.
What is the SMILES notation for N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine?
The canonical SMILES for N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine is CN1CCOP(NCc2cccc(CNP3OCCN(C)CCN(C)CCO3)c2)OCCN(C)CC1.
What is the InChIKey of N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine?
The InChIKey is JXNOQLUMOQYPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N6O4P2/c1-27-8-9-28(2)13-17-32-35(31-16-12-27)25-21-23-6-5-7-24(20-23)22-26-36-33-18-14-29(3)10-11-30(4)15-19-34-36/h5-7,20,25-26H,8-19,21-22H2,1-4H3.
What are the key properties of N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine?
N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine has a molecular weight of 544.62 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine is sourced from PubChem (CID 10602617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).