10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine

C46H40N2O5P2 — CID 143277881

About 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine

10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine (PubChem CID 143277881) has the molecular formula C46H40N2O5P2 and a molecular weight of 762.78 g/mol. Its IUPAC name is 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine.

Molecular Properties

• Compound Name: 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine
• PubChem CID: 143277881
• Molecular Formula: C46H40N2O5P2
• Molecular Weight: 762.78 g/mol
• Exact Mass: 762.24
• IUPAC Name: 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine
• SMILES: CN(C)p1oc2ccc3ccccc3c2c2c(o1)c(COCc1cc3ccccc3c3c1o[pH]oc1ccc4ccccc4c13)cc1ccccc12.CNC
• InChI: InChI=1S/C44H33NO5P2.C2H7N/c1-45(2)52-49-38-22-20-28-12-4-8-16-34(28)40(38)42-36-18-10-6-14-30(36)24-32(44(42)50-52)26-46-25-31-23-29-13-5-9-17-35(29)41-39-33-15-7-3-11-27(33)19-21-37(39)47-51-48-43(31)41;1-3-2/h3-24,51H,25-26H2,1-2H3;3H,1-2H3
• InChIKey: VEFFBLZILAJXGL-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 77.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.78
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine?

The IUPAC name of 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine (CID 143277881) is 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine.

What is the SMILES notation for 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine?

The canonical SMILES for 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine is CN(C)p1oc2ccc3ccccc3c2c2c(o1)c(COCc1cc3ccccc3c3c1o[pH]oc1ccc4ccccc4c13)cc1ccccc12.CNC.

What is the InChIKey of 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine?

The InChIKey is VEFFBLZILAJXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO5P2.C2H7N/c1-45(2)52-49-38-22-20-28-12-4-8-16-34(28)40(38)42-36-18-10-6-14-30(36)24-32(44(42)50-52)26-46-25-31-23-29-13-5-9-17-35(29)41-39-33-15-7-3-11-27(33)19-21-37(39)47-51-48-43(31)41;1-3-2/h3-24,51H,25-26H2,1-2H3;3H,1-2H3.

What are the key properties of 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine?

10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine has a molecular weight of 762.78 g/mol, XLogP of 13.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-ylmethoxymethyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N-methylmethanamine is sourced from PubChem (CID 143277881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).