N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine

C20H48N6O4P2 — CID 15103997

IUPACN-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(N(C)C)N1CCOCCOCCN(P(N(C)C)N(C)C)CCOCCOCC1
InChIInChI=1S/C20H48N6O4P2/c1-21(2)31(22(3)4)25-9-13-27-17-19-29-15-11-26(32(23(5)6)24(7)8)12-16-30-20-18-28-14-10-25/h9-20H2,1-8H3
InChIKeyNAXAXSXVOPJLQI-UHFFFAOYSA-N
MW498.59 g/mol
LogP1.37
Rot. Bonds6

About N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine

N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine (PubChem CID 15103997) has the molecular formula C20H48N6O4P2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine
PubChem CID15103997
Molecular FormulaC20H48N6O4P2
Molecular Weight498.59 g/mol
Exact Mass498.32
IUPAC NameN-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(N(C)C)N1CCOCCOCCN(P(N(C)C)N(C)C)CCOCCOCC1
InChIInChI=1S/C20H48N6O4P2/c1-21(2)31(22(3)4)25-9-13-27-17-19-29-15-11-26(32(23(5)6)24(7)8)12-16-30-20-18-28-14-10-25/h9-20H2,1-8H3
InChIKeyNAXAXSXVOPJLQI-UHFFFAOYSA-N
XLogP1.37
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine with MolForge

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Related Compounds

morpholin-4-ylphosphonous acid
CID 45122822
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
[16-[bis(dimethylamino)-methylphosphaniumyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-bis(dimethylamino)-methylphosphanium
CID 3071874
methoxy-morpholin-4-yl-propan-2-ylphosphane
CID 171807486
N,N'-dimethyl-N-morpholin-4-ylmethanimidamide
CID 45088514
1,4-dioxane
CID 161483686
1,4,7-dioxazonan-7-amine
CID 147560539
potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
CID 23689698
ethane;4-methylmorpholine
CID 54432133
N,N-dimethyl-1-morpholin-4-ylethenamine
CID 142039322
1-fluoro-N,N-dimethyl-1-morpholin-4-ylmethanamine
CID 25158604
7-methyl-1,4,7-dioxazecane
CID 59020799

Frequently Asked Questions

What is the IUPAC name of N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine (CID 15103997) is N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine is CN(C)P(N(C)C)N1CCOCCOCCN(P(N(C)C)N(C)C)CCOCCOCC1.
What is the InChIKey of N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine?
The InChIKey is NAXAXSXVOPJLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48N6O4P2/c1-21(2)31(22(3)4)25-9-13-27-17-19-29-15-11-26(32(23(5)6)24(7)8)12-16-30-20-18-28-14-10-25/h9-20H2,1-8H3.
What are the key properties of N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine?
N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine has a molecular weight of 498.59 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[16-[bis(dimethylamino)phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 15103997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).