11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine

C26H26N6O — CID 67256969

IUPAC11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine
SMILESCN(C)c1nnc2n1-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1OC2
InChIInChI=1S/C26H26N6O/c1-31(2)25-30-29-22-16-33-24-21(32(22)25)15-20(17-7-4-3-5-8-17)23(28-24)18-9-11-19(12-10-18)26(27)13-6-14-26/h3-5,7-12,15H,6,13-14,16,27H2,1-2H3
InChIKeyWFWFLSFDCGGSPQ-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.29
Rot. Bonds4

About 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine

11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine (PubChem CID 67256969) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine.

Molecular Properties

Compound Name11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine
PubChem CID67256969
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine
SMILESCN(C)c1nnc2n1-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1OC2
InChIInChI=1S/C26H26N6O/c1-31(2)25-30-29-22-16-33-24-21(32(22)25)15-20(17-7-4-3-5-8-17)23(28-24)18-9-11-19(12-10-18)26(27)13-6-14-26/h3-5,7-12,15H,6,13-14,16,27H2,1-2H3
InChIKeyWFWFLSFDCGGSPQ-UHFFFAOYSA-N
XLogP4.29
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine with MolForge

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Related Compounds

1-[4-(3,12-diphenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]cyclobutan-1-amine
CID 53261684
[1-[4-[3-(dimethylamino)-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl]phenyl]cyclobutyl]carbamic acid
CID 90309554
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53261991
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-methoxyethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67254897
6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53262178
6-[4-(1-aminocyclobutyl)phenyl]-7-phenyl-1-(pyridin-4-ylmethyl)pyrido[2,3-b][1,4]oxazin-2-one
CID 53262056
2-[6-[4-(1-aminocyclobutyl)phenyl]-2,2-dihydroxy-7-phenylpyrido[3,2-e][1,3,4]oxathiazin-1-yl]acetonitrile
CID 87326575
6-[4-(1-aminocyclobutyl)phenyl]-7-phenyl-1-(pyridin-3-ylmethyl)pyrido[2,3-b][1,4]oxazin-2-one
CID 53262116
3-[4-(12-phenyl-3-pyridin-4-yl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]pentan-3-amine
CID 123136462
6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67257000
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
CID 53261732
tert-butyl-[1-[4-(3-ethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]-3-hydroxycyclobutyl]carbamic acid
CID 67254723

Frequently Asked Questions

What is the IUPAC name of 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine?
The IUPAC name of 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine (CID 67256969) is 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine.
What is the SMILES notation for 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine?
The canonical SMILES for 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine is CN(C)c1nnc2n1-c1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc1OC2.
What is the InChIKey of 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine?
The InChIKey is WFWFLSFDCGGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-31(2)25-30-29-22-16-33-24-21(32(22)25)15-20(17-7-4-3-5-8-17)23(28-24)18-9-11-19(12-10-18)26(27)13-6-14-26/h3-5,7-12,15H,6,13-14,16,27H2,1-2H3.
What are the key properties of 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine?
11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine has a molecular weight of 438.54 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(1-aminocyclobutyl)phenyl]-N,N-dimethyl-12-phenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-3-amine is sourced from PubChem (CID 67256969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).