1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine

C19H29N5O — CID 135481189

IUPAC1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COc2ccc3nc4n(c3c2C1)CC(CN(C)C)CN4
InChIInChI=1S/C19H29N5O/c1-22(2)9-13-7-15-17(25-12-13)6-5-16-18(15)24-11-14(10-23(3)4)8-20-19(24)21-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,21)
InChIKeyFIPRRHYNEZXZGC-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.75
Rot. Bonds4

About 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine

1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine (PubChem CID 135481189) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine
PubChem CID135481189
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COc2ccc3nc4n(c3c2C1)CC(CN(C)C)CN4
InChIInChI=1S/C19H29N5O/c1-22(2)9-13-7-15-17(25-12-13)6-5-16-18(15)24-11-14(10-23(3)4)8-20-19(24)21-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,21)
InChIKeyFIPRRHYNEZXZGC-UHFFFAOYSA-N
XLogP1.75
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine (CID 135481189) is 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine is CN(C)CC1COc2ccc3nc4n(c3c2C1)CC(CN(C)C)CN4.
What is the InChIKey of 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine?
The InChIKey is FIPRRHYNEZXZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-22(2)9-13-7-15-17(25-12-13)6-5-16-18(15)24-11-14(10-23(3)4)8-20-19(24)21-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,21).
What are the key properties of 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine?
1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine has a molecular weight of 343.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 135481189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).