2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine

C17H21FN4O — CID 143258780

IUPAC2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
SMILESCC(C)F.CC1COCc2nc3c(N)nc4ccccc4c3n21
InChIInChI=1S/C14H14N4O.C3H7F/c1-8-6-19-7-11-17-12-13(18(8)11)9-4-2-3-5-10(9)16-14(12)15;1-3(2)4/h2-5,8H,6-7H2,1H3,(H2,15,16);3H,1-2H3
InChIKeyXHZRPVCXFYSEAQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.62
Rot. Bonds

About 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine

2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine (PubChem CID 143258780) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine.

Molecular Properties

Compound Name2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
PubChem CID143258780
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
SMILESCC(C)F.CC1COCc2nc3c(N)nc4ccccc4c3n21
InChIInChI=1S/C14H14N4O.C3H7F/c1-8-6-19-7-11-17-12-13(18(8)11)9-4-2-3-5-10(9)16-14(12)15;1-3(2)4/h2-5,8H,6-7H2,1H3,(H2,15,16);3H,1-2H3
InChIKeyXHZRPVCXFYSEAQ-UHFFFAOYSA-N
XLogP3.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine with MolForge

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Related Compounds

(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol
CID 58406179
13,16-dimethyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 69194624
(16S)-16-methyl-5-(2-methylsulfonylethyl)-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-9-amine
CID 58406169
tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate
CID 86619532
3-[(16S)-9-amino-16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl]-N,N-dimethylprop-2-enamide
CID 67156541
15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 24852290
N-[3-(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl)propyl]morpholine-4-carboxamide
CID 76813304
9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide
CID 24852178
1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155368483
N-[3-[(16S)-9-amino-14-methylsulfonyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]propyl]methanesulfonamide
CID 11641010
1-[1-(2-aminoethoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
CID 152657233
1-(2-methylpropyl)-2-(morpholin-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 10290980

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine?
The IUPAC name of 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine (CID 143258780) is 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine.
What is the SMILES notation for 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine?
The canonical SMILES for 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine is CC(C)F.CC1COCc2nc3c(N)nc4ccccc4c3n21.
What is the InChIKey of 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine?
The InChIKey is XHZRPVCXFYSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.C3H7F/c1-8-6-19-7-11-17-12-13(18(8)11)9-4-2-3-5-10(9)16-14(12)15;1-3(2)4/h2-5,8H,6-7H2,1H3,(H2,15,16);3H,1-2H3.
What are the key properties of 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine?
2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine has a molecular weight of 316.38 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine is sourced from PubChem (CID 143258780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).