10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine

C17H24ClNO2 — CID 62933687

IUPAC10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
SMILESCNC1CC(C)(C)CCc2c(Cl)cc3c(c21)OCCCO3
InChIInChI=1S/C17H24ClNO2/c1-17(2)6-5-11-12(18)9-14-16(21-8-4-7-20-14)15(11)13(10-17)19-3/h9,13,19H,4-8,10H2,1-3H3
InChIKeyVGTVKNUWEXAQNI-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.12
Rot. Bonds1

About 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine

10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine (PubChem CID 62933687) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine.

Molecular Properties

Compound Name10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
PubChem CID62933687
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
SMILESCNC1CC(C)(C)CCc2c(Cl)cc3c(c21)OCCCO3
InChIInChI=1S/C17H24ClNO2/c1-17(2)6-5-11-12(18)9-14-16(21-8-4-7-20-14)15(11)13(10-17)19-3/h9,13,19H,4-8,10H2,1-3H3
InChIKeyVGTVKNUWEXAQNI-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine with MolForge

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Related Compounds

10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
CID 62932992
10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-one
CID 62932989
6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine
CID 79838512
1-chloro-3-fluoro-N,4,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 81051231
(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
CID 79014140
6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417500
(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 84691494
7-chloro-2,3,4,8,9,10-hexahydrobenzo[i][1,5]benzodioxepin-11-one
CID 62732067
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
7-bromo-10-chloro-8,8-dimethyl-3,4,9,10-tetrahydro-2H-cyclopenta[i][1,5]benzodioxepine
CID 79838644
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238
10-bromo-N-ethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62730255

Frequently Asked Questions

What is the IUPAC name of 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
The IUPAC name of 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine (CID 62933687) is 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine.
What is the SMILES notation for 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
The canonical SMILES for 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine is CNC1CC(C)(C)CCc2c(Cl)cc3c(c21)OCCCO3.
What is the InChIKey of 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
The InChIKey is VGTVKNUWEXAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-17(2)6-5-11-12(18)9-14-16(21-8-4-7-20-14)15(11)13(10-17)19-3/h9,13,19H,4-8,10H2,1-3H3.
What are the key properties of 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine?
10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine has a molecular weight of 309.84 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine is sourced from PubChem (CID 62933687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).